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							<!DOCTYPE html><html class="default"><head><meta charSet="utf-8"/><meta http-equiv="x-ua-compatible" content="IE=edge"/><title>Refine | @rcsb/rcsb-saguaro-3d</title><meta name="description" content="Documentation for @rcsb/rcsb-saguaro-3d"/><meta name="viewport" content="width=device-width, initial-scale=1"/><link rel="stylesheet" href="../assets/style.css"/><link rel="stylesheet" href="../assets/highlight.css"/><script async src="../assets/search.js" id="search-script"></script></head><body><script>document.body.classList.add(localStorage.getItem("tsd-theme") || "os")</script><header><div class="tsd-page-toolbar"><div class="container"><div class="table-wrap"><div class="table-cell" id="tsd-search" data-base=".."><div class="field"><label for="tsd-search-field" class="tsd-widget search no-caption">Search</label><input type="text" id="tsd-search-field"/></div><ul class="results"><li class="state loading">Preparing search index...</li><li class="state failure">The search index is 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href="../modules.html">@rcsb/rcsb-saguaro-3d</a></li><li><a href="../modules/RcsbFv3DAssembly.html">RcsbFv3DAssembly</a></li><li><a href="../modules/RcsbFv3DAssembly._internal_.html">&lt;internal&gt;</a></li><li><a href="RcsbFv3DAssembly._internal_.Refine.html">Refine</a></li></ul><h1>Interface Refine </h1></div></div></header><div class="container container-main"><div class="row"><div class="col-8 col-content"><section class="tsd-panel tsd-hierarchy"><h3>Hierarchy</h3><ul class="tsd-hierarchy"><li><span class="target">Refine</span></li></ul></section><section class="tsd-panel-group tsd-index-group"><h2>Index</h2><section class="tsd-panel tsd-index-panel"><div class="tsd-index-content"><section class="tsd-index-section tsd-is-external"><h3>Properties</h3><ul class="tsd-index-list"><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#B_iso_max" class="tsd-kind-icon">B_<wbr/>iso_<wbr/>max</a></li><li 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tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#aniso_B_1_3" class="tsd-kind-icon">aniso_<wbr/>B_<wbr/>1_<wbr/>3</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#aniso_B_2_2" class="tsd-kind-icon">aniso_<wbr/>B_<wbr/>2_<wbr/>2</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#aniso_B_2_3" class="tsd-kind-icon">aniso_<wbr/>B_<wbr/>2_<wbr/>3</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#aniso_B_3_3" class="tsd-kind-icon">aniso_<wbr/>B_<wbr/>3_<wbr/>3</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#correlation_coeff_Fo_to_Fc" class="tsd-kind-icon">correlation_<wbr/>coeff_<wbr/>Fo_<wbr/>to_<wbr/>Fc</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#correlation_coeff_Fo_to_Fc_free" class="tsd-kind-icon">correlation_<wbr/>coeff_<wbr/>Fo_<wbr/>to_<wbr/>Fc_<wbr/>free</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#details" class="tsd-kind-icon">details</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_R_factor_R_free" class="tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_R_factor_R_free_error" class="tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free_<wbr/>error</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_R_factor_R_free_error_details" class="tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free_<wbr/>error_<wbr/>details</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_R_factor_R_work" class="tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>work</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_R_factor_all" class="tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>all</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_R_factor_obs" class="tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>obs</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_d_res_high" class="tsd-kind-icon">ls_<wbr/>d_<wbr/>res_<wbr/>high</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_d_res_low" class="tsd-kind-icon">ls_<wbr/>d_<wbr/>res_<wbr/>low</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_matrix_type" class="tsd-kind-icon">ls_<wbr/>matrix_<wbr/>type</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_number_parameters" class="tsd-kind-icon">ls_<wbr/>number_<wbr/>parameters</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_number_reflns_R_free" class="tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>R_<wbr/>free</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_number_reflns_R_work" class="tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>R_<wbr/>work</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_number_reflns_all" class="tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>all</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_number_reflns_obs" class="tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>obs</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_number_restraints" class="tsd-kind-icon">ls_<wbr/>number_<wbr/>restraints</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_percent_reflns_R_free" class="tsd-kind-icon">ls_<wbr/>percent_<wbr/>reflns_<wbr/>R_<wbr/>free</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_percent_reflns_obs" class="tsd-kind-icon">ls_<wbr/>percent_<wbr/>reflns_<wbr/>obs</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_redundancy_reflns_all" class="tsd-kind-icon">ls_<wbr/>redundancy_<wbr/>reflns_<wbr/>all</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_redundancy_reflns_obs" class="tsd-kind-icon">ls_<wbr/>redundancy_<wbr/>reflns_<wbr/>obs</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_wR_factor_R_free" class="tsd-kind-icon">ls_<wbr/>w<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#ls_wR_factor_R_work" class="tsd-kind-icon">ls_<wbr/>w<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>work</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#occupancy_max" class="tsd-kind-icon">occupancy_<wbr/>max</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#occupancy_min" class="tsd-kind-icon">occupancy_<wbr/>min</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#overall_FOM_free_R_set" class="tsd-kind-icon">overall_<wbr/>FOM_<wbr/>free_<wbr/>R_<wbr/>set</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#overall_FOM_work_R_set" class="tsd-kind-icon">overall_<wbr/>FOM_<wbr/>work_<wbr/>R_<wbr/>set</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#overall_SU_B" class="tsd-kind-icon">overall_<wbr/>SU_<wbr/>B</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#overall_SU_ML" class="tsd-kind-icon">overall_<wbr/>SU_<wbr/>ML</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#overall_SU_R_Cruickshank_DPI" class="tsd-kind-icon">overall_<wbr/>SU_<wbr/>R_<wbr/>Cruickshank_<wbr/>DPI</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#overall_SU_R_free" class="tsd-kind-icon">overall_<wbr/>SU_<wbr/>R_<wbr/>free</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_R_Free_selection_details" class="tsd-kind-icon">pdbx_<wbr/>R_<wbr/>Free_<wbr/>selection_<wbr/>details</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a 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class="tsd-kind-icon">pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>high_<wbr/>absF</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_data_cutoff_high_rms_absF" class="tsd-kind-icon">pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>high_<wbr/>rms_<wbr/>absF</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_data_cutoff_low_absF" class="tsd-kind-icon">pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>low_<wbr/>absF</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_diffrn_id" class="tsd-kind-icon">pdbx_<wbr/>diffrn_<wbr/>id</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_isotropic_thermal_model" class="tsd-kind-icon">pdbx_<wbr/>isotropic_<wbr/>thermal_<wbr/>model</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_ls_cross_valid_method" class="tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>cross_<wbr/>valid_<wbr/>method</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_ls_sigma_F" class="tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>F</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_ls_sigma_Fsqd" class="tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>Fsqd</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_ls_sigma_I" class="tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>I</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_method_to_determine_struct" class="tsd-kind-icon">pdbx_<wbr/>method_<wbr/>to_<wbr/>determine_<wbr/>struct</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_overall_ESU_R" class="tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>ESU_<wbr/>R</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_overall_ESU_R_Free" class="tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>ESU_<wbr/>R_<wbr/>Free</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_overall_SU_R_Blow_DPI" class="tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>Blow_<wbr/>DPI</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_overall_SU_R_free_Blow_DPI" class="tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>free_<wbr/>Blow_<wbr/>DPI</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_overall_SU_R_free_Cruickshank_DPI" class="tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>free_<wbr/>Cruickshank_<wbr/>DPI</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_overall_phase_error" class="tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>phase_<wbr/>error</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_refine_id" class="tsd-kind-icon">pdbx_<wbr/>refine_<wbr/>id</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_solvent_ion_probe_radii" class="tsd-kind-icon">pdbx_<wbr/>solvent_<wbr/>ion_<wbr/>probe_<wbr/>radii</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_solvent_shrinkage_radii" class="tsd-kind-icon">pdbx_<wbr/>solvent_<wbr/>shrinkage_<wbr/>radii</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_solvent_vdw_probe_radii" class="tsd-kind-icon">pdbx_<wbr/>solvent_<wbr/>vdw_<wbr/>probe_<wbr/>radii</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_starting_model" class="tsd-kind-icon">pdbx_<wbr/>starting_<wbr/>model</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_stereochem_target_val_spec_case" class="tsd-kind-icon">pdbx_<wbr/>stereochem_<wbr/>target_<wbr/>val_<wbr/>spec_<wbr/>case</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#pdbx_stereochemistry_target_values" class="tsd-kind-icon">pdbx_<wbr/>stereochemistry_<wbr/>target_<wbr/>values</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#solvent_model_details" class="tsd-kind-icon">solvent_<wbr/>model_<wbr/>details</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#solvent_model_param_bsol" class="tsd-kind-icon">solvent_<wbr/>model_<wbr/>param_<wbr/>bsol</a></li><li class="tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a href="RcsbFv3DAssembly._internal_.Refine.html#solvent_model_param_ksol" class="tsd-kind-icon">solvent_<wbr/>model_<wbr/>param_<wbr/>ksol</a></li></ul></section></div></section></section><section class="tsd-panel-group tsd-member-group tsd-is-external"><h2>Properties</h2><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="B_iso_max" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> B_<wbr/>iso_<wbr/>max<a href="#B_iso_max" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">B_<wbr/>iso_<wbr/>max<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11732</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The maximum isotropic displacement parameter (B value)
 found in the coordinate set.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="B_iso_mean" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> B_<wbr/>iso_<wbr/>mean<a href="#B_iso_mean" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">B_<wbr/>iso_<wbr/>mean<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11737</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The mean isotropic displacement parameter (B value)
 for the coordinate set.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="B_iso_min" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> B_<wbr/>iso_<wbr/>min<a href="#B_iso_min" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">B_<wbr/>iso_<wbr/>min<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11742</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The minimum isotropic displacement parameter (B value)
 found in the coordinate set.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="__typename" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> __typename<a href="#__typename" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">__typename<span class="tsd-signature-symbol">?:</span> <span class="tsd-signature-type">&quot;Refine&quot;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11727</li></ul></aside></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="aniso_B_1_1" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> aniso_<wbr/>B_<wbr/>1_<wbr/>1<a href="#aniso_B_1_1" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">aniso_<wbr/>B_<wbr/>1_<wbr/>1<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11748</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The [1][1] element of the matrix that defines the overall
 anisotropic displacement model if one was refined for this
 structure.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="aniso_B_1_2" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> aniso_<wbr/>B_<wbr/>1_<wbr/>2<a href="#aniso_B_1_2" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">aniso_<wbr/>B_<wbr/>1_<wbr/>2<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11754</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The [1][2] element of the matrix that defines the overall
 anisotropic displacement model if one was refined for this
 structure.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="aniso_B_1_3" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> aniso_<wbr/>B_<wbr/>1_<wbr/>3<a href="#aniso_B_1_3" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">aniso_<wbr/>B_<wbr/>1_<wbr/>3<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11760</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The [1][3] element of the matrix that defines the overall
 anisotropic displacement model if one was refined for this
 structure.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="aniso_B_2_2" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> aniso_<wbr/>B_<wbr/>2_<wbr/>2<a href="#aniso_B_2_2" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">aniso_<wbr/>B_<wbr/>2_<wbr/>2<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11766</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The [2][2] element of the matrix that defines the overall
 anisotropic displacement model if one was refined for this
 structure.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="aniso_B_2_3" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> aniso_<wbr/>B_<wbr/>2_<wbr/>3<a href="#aniso_B_2_3" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">aniso_<wbr/>B_<wbr/>2_<wbr/>3<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11772</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The [2][3] element of the matrix that defines the overall
 anisotropic displacement model if one was refined for this
 structure.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="aniso_B_3_3" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> aniso_<wbr/>B_<wbr/>3_<wbr/>3<a href="#aniso_B_3_3" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">aniso_<wbr/>B_<wbr/>3_<wbr/>3<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11778</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The [3][3] element of the matrix that defines the overall
 anisotropic displacement model if one was refined for this
 structure.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="correlation_coeff_Fo_to_Fc" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> correlation_<wbr/>coeff_<wbr/>Fo_<wbr/>to_<wbr/>Fc<a href="#correlation_coeff_Fo_to_Fc" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">correlation_<wbr/>coeff_<wbr/>Fo_<wbr/>to_<wbr/>Fc<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11797</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The correlation coefficient between the observed and
             calculated structure factors for reflections included in
             the refinement.</p>
</div><div><pre><code><span class="hl-1">         </span><span class="hl-0">The</span><span class="hl-1"> </span><span class="hl-0">correlation</span><span class="hl-1"> </span><span class="hl-0">coefficient</span><span class="hl-1"> </span><span class="hl-0">is</span><span class="hl-1"> </span><span class="hl-0">scale</span><span class="hl-1">-</span><span class="hl-0">independent</span><span class="hl-1"> </span><span class="hl-0">and</span><span class="hl-1"> </span><span class="hl-0">gives</span><br/><span class="hl-1">         </span><span class="hl-0">an</span><span class="hl-1"> </span><span class="hl-0">idea</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">quality</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">refined</span><span class="hl-1"> </span><span class="hl-0">model</span><span class="hl-1">.</span><br/><br/><span class="hl-1">                      </span><span class="hl-0">sum</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~(</span><span class="hl-0">Fo</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~ </span><span class="hl-0">Fc</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~ - &lt;</span><span class="hl-4">Fo</span><span class="hl-1">&gt;&lt;</span><span class="hl-4">Fc</span><span class="hl-1">&gt;)</span>
</code></pre>
<p>R<del>corr</del> = ------------------------------------------------------------
          SQRT{sum<del>i</del>(Fo<del>i</del>)^2^-<Fo>^2^} SQRT{sum<del>i</del>(Fc<del>i</del>)^2^-<Fc>^2^}</p>
<pre><code><span class="hl-1">         </span><span class="hl-0">Fo</span><span class="hl-1"> = </span><span class="hl-0">observed</span><span class="hl-1"> </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">         </span><span class="hl-0">Fc</span><span class="hl-1"> = </span><span class="hl-0">calculated</span><span class="hl-1"> </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">         &lt;&gt;   </span><span class="hl-0">denotes</span><span class="hl-1"> </span><span class="hl-0">average</span><span class="hl-1"> </span><span class="hl-0">value</span><br/><br/><span class="hl-1">         </span><span class="hl-0">summation</span><span class="hl-1"> </span><span class="hl-0">is</span><span class="hl-1"> </span><span class="hl-0">over</span><span class="hl-1"> </span><span class="hl-0">reflections</span><span class="hl-1"> </span><span class="hl-0">included</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">refinement</span>
</code></pre>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="correlation_coeff_Fo_to_Fc_free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> correlation_<wbr/>coeff_<wbr/>Fo_<wbr/>to_<wbr/>Fc_<wbr/>free<a href="#correlation_coeff_Fo_to_Fc_free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">correlation_<wbr/>coeff_<wbr/>Fo_<wbr/>to_<wbr/>Fc_<wbr/>free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11817</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The correlation coefficient between the observed and
             calculated structure factors for reflections not included
             in the refinement (free reflections).</p>
</div><div><pre><code><span class="hl-1">          </span><span class="hl-0">The</span><span class="hl-1"> </span><span class="hl-0">correlation</span><span class="hl-1"> </span><span class="hl-0">coefficient</span><span class="hl-1"> </span><span class="hl-0">is</span><span class="hl-1"> </span><span class="hl-0">scale</span><span class="hl-1">-</span><span class="hl-0">independent</span><span class="hl-1"> </span><span class="hl-0">and</span><span class="hl-1"> </span><span class="hl-0">gives</span><br/><span class="hl-1">          </span><span class="hl-0">an</span><span class="hl-1"> </span><span class="hl-0">idea</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">quality</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">refined</span><span class="hl-1"> </span><span class="hl-0">model</span><span class="hl-1">.</span><br/><br/><span class="hl-1">                      </span><span class="hl-0">sum</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~(</span><span class="hl-0">Fo</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~ </span><span class="hl-0">Fc</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~ - &lt;</span><span class="hl-4">Fo</span><span class="hl-1">&gt;&lt;</span><span class="hl-4">Fc</span><span class="hl-1">&gt;)</span>
</code></pre>
<p>R<del>corr</del> = ------------------------------------------------------------
          SQRT{sum<del>i</del>(Fo<del>i</del>)^2^-<Fo>^2^} SQRT{sum<del>i</del>(Fc<del>i</del>)^2^-<Fc>^2^}</p>
<pre><code><span class="hl-1">          </span><span class="hl-0">Fo</span><span class="hl-1">  = </span><span class="hl-0">observed</span><span class="hl-1"> </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">          </span><span class="hl-0">Fc</span><span class="hl-1">  = </span><span class="hl-0">calculated</span><span class="hl-1"> </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">          &lt;&gt;    </span><span class="hl-0">denotes</span><span class="hl-1"> </span><span class="hl-0">average</span><span class="hl-1"> </span><span class="hl-0">value</span><br/><br/><span class="hl-1">          </span><span class="hl-0">summation</span><span class="hl-1"> </span><span class="hl-0">is</span><span class="hl-1"> </span><span class="hl-0">over</span><span class="hl-1"> </span><span class="hl-0">reflections</span><span class="hl-1"> </span><span class="hl-0">not</span><span class="hl-1"> </span><span class="hl-0">included</span><br/><span class="hl-1">          </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-6">refinement</span><span class="hl-1"> (</span><span class="hl-0">free</span><span class="hl-1"> </span><span class="hl-0">reflections</span><span class="hl-1">)</span>
</code></pre>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="details" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> details<a href="#details" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">details<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11825</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Description of special aspects of the refinement process.</p>
</div><div><p>Examples:
HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_R_factor_R_free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free<a href="#ls_R_factor_R_free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11845</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Residual factor R for reflections that satisfy the resolution
 limits established by _refine.ls_d_res_high and
 _refine.ls_d_res_low and the observation limit established by
 _reflns.observed_criterion, and that were used as the test
 reflections (i.e. were excluded from the refinement) when the
 refinement included the calculation of a &#39;free&#39; R factor.
 Details of how reflections were assigned to the working and
 test sets are given in _reflns.R_free_details.</p>
</div><div><pre><code><span class="hl-1"> </span><span class="hl-0">sum</span><span class="hl-1">|</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">obs</span><span class="hl-1">~ - </span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">calc</span><span class="hl-1">~|</span>
</code></pre>
<p> R = ---------------------
          sum|F<del>obs</del>|</p>
<p> F<del>obs</del>  = the observed structure-factor amplitudes
 F<del>calc</del> = the calculated structure-factor amplitudes</p>
<p> sum is taken over the specified reflections</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_R_factor_R_free_error" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free_<wbr/>error<a href="#ls_R_factor_R_free_error" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free_<wbr/>error<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11851</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The estimated error in _refine.ls_R_factor_R_free.
 The method used to estimate the error is described in the
 item _refine.ls_R_factor_R_free_error_details.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_R_factor_R_free_error_details" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free_<wbr/>error_<wbr/>details<a href="#ls_R_factor_R_free_error_details" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free_<wbr/>error_<wbr/>details<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11856</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Special aspects of the method used to estimated the error in
 _refine.ls_R_factor_R_free.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_R_factor_R_work" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>work<a href="#ls_R_factor_R_work" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>work<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11887</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Residual factor R for reflections that satisfy the resolution
 limits established by _refine.ls_d_res_high and
 _refine.ls_d_res_low and the observation limit established by
 _reflns.observed_criterion, and that were used as the working
 reflections (i.e. were included in the refinement)  when the
 refinement included the calculation of a &#39;free&#39; R factor.
 Details of how reflections were assigned to the working and
 test sets are given in _reflns.R_free_details.</p>
</div><div><p> _refine.ls_R_factor_obs should not be confused with
 _refine.ls_R_factor_R_work; the former reports the results of a
 refinement in which all observed reflections were used, the
 latter a refinement in which a subset of the observed
 reflections were excluded from refinement for the calculation
 of a &#39;free&#39; R factor. However, it would be meaningful to quote
 both values if a &#39;free&#39; R factor were calculated for most of
 the refinement, but all of the observed reflections were used
 in the final rounds of refinement; such a protocol should be
 explained in _refine.details.</p>
<pre><code><span class="hl-1"> </span><span class="hl-0">sum</span><span class="hl-1">|</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">obs</span><span class="hl-1">~ - </span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">calc</span><span class="hl-1">~|</span>
</code></pre>
<p> R = ---------------------
          sum|F<del>obs</del>|</p>
<p> F<del>obs</del>  = the observed structure-factor amplitudes
 F<del>calc</del> = the calculated structure-factor amplitudes</p>
<p> sum is taken over the specified reflections</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_R_factor_all" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>R_<wbr/>factor_<wbr/>all<a href="#ls_R_factor_all" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>all<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11902</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Residual factor R for all reflections that satisfy the resolution
 limits established by _refine.ls_d_res_high and
 _refine.ls_d_res_low.</p>
</div><div><pre><code><span class="hl-1"> </span><span class="hl-0">sum</span><span class="hl-1">|</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">obs</span><span class="hl-1">~ - </span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">calc</span><span class="hl-1">~|</span>
</code></pre>
<p> R = ---------------------
          sum|F<del>obs</del>|</p>
<p> F<del>obs</del>  = the observed structure-factor amplitudes
 F<del>calc</del> = the calculated structure-factor amplitudes</p>
<p> sum is taken over the specified reflections</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_R_factor_obs" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>R_<wbr/>factor_<wbr/>obs<a href="#ls_R_factor_obs" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>R_<wbr/>factor_<wbr/>obs<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11929</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Residual factor R for reflections that satisfy the resolution
 limits established by _refine.ls_d_res_high and
 _refine.ls_d_res_low and the observation limit established by
 _reflns.observed_criterion.</p>
</div><div><p> _refine.ls_R_factor_obs should not be confused with
 _refine.ls_R_factor_R_work; the former reports the results of a
 refinement in which all observed reflections were used, the
 latter a refinement in which a subset of the observed
 reflections were excluded from refinement for the calculation
 of a &#39;free&#39; R factor. However, it would be meaningful to quote
 both values if a &#39;free&#39; R factor were calculated for most of
 the refinement, but all of the observed reflections were used
 in the final rounds of refinement; such a protocol should be
 explained in _refine.details.</p>
<pre><code><span class="hl-1"> </span><span class="hl-0">sum</span><span class="hl-1">|</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">obs</span><span class="hl-1">~ - </span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">calc</span><span class="hl-1">~|</span>
</code></pre>
<p> R = ---------------------
          sum|F<del>obs</del>|</p>
<p> F<del>obs</del>  = the observed structure-factor amplitudes
 F<del>calc</del> = the calculated structure-factor amplitudes</p>
<p> sum is taken over the specified reflections</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_d_res_high" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>d_<wbr/>res_<wbr/>high<a href="#ls_d_res_high" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>d_<wbr/>res_<wbr/>high<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11935</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The smallest value for the interplanar spacings for the
 reflection data used in the refinement in angstroms. This is
 called the highest resolution.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_d_res_low" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>d_<wbr/>res_<wbr/>low<a href="#ls_d_res_low" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>d_<wbr/>res_<wbr/>low<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11941</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The largest value for the interplanar spacings for
 the reflection data used in the refinement in angstroms.
 This is called the lowest resolution.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_matrix_type" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>matrix_<wbr/>type<a href="#ls_matrix_type" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>matrix_<wbr/>type<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11949</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Type of matrix used to accumulate the least-squares derivatives.</p>
</div><div><p>Allowable values:
atomblock, diagonal, full, fullcycle, sparse, userblock</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_number_parameters" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>number_<wbr/>parameters<a href="#ls_number_parameters" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>number_<wbr/>parameters<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11961</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of parameters refined in the least-squares process.
 If possible, this number should include some contribution from
 the restrained parameters. The restrained parameters are
 distinct from the constrained parameters (where one or more
 parameters are linearly dependent on the refined value of
 another). Least-squares restraints often depend on geometry or
 energy considerations and this makes their direct contribution
 to this number, and to the goodness-of-fit calculation,
 difficult to assess.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_number_reflns_R_free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>number_<wbr/>reflns_<wbr/>R_<wbr/>free<a href="#ls_number_reflns_R_free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>R_<wbr/>free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11972</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of reflections that satisfy the resolution limits
 established by _refine.ls_d_res_high and _refine.ls_d_res_low
 and the observation limit established by
 _reflns.observed_criterion, and that were used as the test
 reflections (i.e. were excluded from the refinement) when the
 refinement included the calculation of a &#39;free&#39; R factor.
 Details of how reflections were assigned to the working and
 test sets are given in _reflns.R_free_details.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_number_reflns_R_work" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>number_<wbr/>reflns_<wbr/>R_<wbr/>work<a href="#ls_number_reflns_R_work" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>R_<wbr/>work<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11983</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of reflections that satisfy the resolution limits
 established by _refine.ls_d_res_high and _refine.ls_d_res_low
 and the observation limit established by
 _reflns.observed_criterion, and that were used as the working
 reflections (i.e. were included in the refinement) when the
 refinement included the calculation of a &#39;free&#39; R factor.
 Details of how reflections were assigned to the working and
 test sets are given in _reflns.R_free_details.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_number_reflns_all" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>number_<wbr/>reflns_<wbr/>all<a href="#ls_number_reflns_all" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>all<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11988</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of reflections that satisfy the resolution limits
 established by _refine.ls_d_res_high and _refine.ls_d_res_low.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_number_reflns_obs" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>number_<wbr/>reflns_<wbr/>obs<a href="#ls_number_reflns_obs" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>number_<wbr/>reflns_<wbr/>obs<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:11995</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of reflections that satisfy the resolution limits
 established by _refine.ls_d_res_high and _refine.ls_d_res_low
 and the observation limit established by
 _reflns.observed_criterion.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_number_restraints" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>number_<wbr/>restraints<a href="#ls_number_restraints" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>number_<wbr/>restraints<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12005</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of restrained parameters. These are parameters which
 are not directly dependent on another refined parameter.
 Restrained parameters often involve geometry or energy
 dependencies.
 See also _atom_site.constraints and _atom_site.refinement_flags.
 A general description of refinement constraints may appear in
 _refine.details.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_percent_reflns_R_free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>percent_<wbr/>reflns_<wbr/>R_<wbr/>free<a href="#ls_percent_reflns_R_free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>percent_<wbr/>reflns_<wbr/>R_<wbr/>free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12016</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of reflections that satisfy the resolution limits
 established by _refine.ls_d_res_high and _refine.ls_d_res_low
 and the observation limit established by
 _reflns.observed_criterion, and that were used as the test
 reflections (i.e. were excluded from the refinement) when the
 refinement included the calculation of a &#39;free&#39; R factor,
 expressed as a percentage of the number of geometrically
 observable reflections that satisfy the resolution limits.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_percent_reflns_obs" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>percent_<wbr/>reflns_<wbr/>obs<a href="#ls_percent_reflns_obs" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>percent_<wbr/>reflns_<wbr/>obs<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12025</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The number of reflections that satisfy the resolution limits
 established by _refine.ls_d_res_high and _refine.ls_d_res_low
 and the observation limit established by
 _reflns.observed_criterion, expressed as a percentage of the
 number of geometrically observable reflections that satisfy
 the resolution limits.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_redundancy_reflns_all" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>redundancy_<wbr/>reflns_<wbr/>all<a href="#ls_redundancy_reflns_all" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>redundancy_<wbr/>reflns_<wbr/>all<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12033</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The ratio of the total number of observations of the
 reflections that satisfy the resolution limits established by
 _refine.ls_d_res_high and _refine.ls_d_res_low to the number
 of crystallographically unique reflections that satisfy the
 same limits.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_redundancy_reflns_obs" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>redundancy_<wbr/>reflns_<wbr/>obs<a href="#ls_redundancy_reflns_obs" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>redundancy_<wbr/>reflns_<wbr/>obs<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12042</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The ratio of the total number of observations of the
 reflections that satisfy the resolution limits established by
 _refine.ls_d_res_high and _refine.ls_d_res_low and the
 observation limit established by _reflns.observed_criterion to
 the number of crystallographically unique reflections that
 satisfy the same limits.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_wR_factor_R_free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>w<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free<a href="#ls_wR_factor_R_free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>w<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12065</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Weighted residual factor wR for reflections that satisfy the
 resolution limits established by _refine.ls_d_res_high and
 _refine.ls_d_res_low and the observation limit established by
 _reflns.observed_criterion, and that were used as the test
 reflections (i.e. were excluded from the refinement) when the
 refinement included the calculation of a &#39;free&#39; R factor.
 Details of how reflections were assigned to the working and
 test sets are given in _reflns.R_free_details.</p>
</div><div><pre><code><span class="hl-1">  ( </span><span class="hl-0">sum</span><span class="hl-1">|</span><span class="hl-0">w</span><span class="hl-1"> |</span><span class="hl-2">Y</span><span class="hl-1">~</span><span class="hl-0">obs</span><span class="hl-1">~ - </span><span class="hl-2">Y</span><span class="hl-1">~</span><span class="hl-0">calc</span><span class="hl-1">~|^</span><span class="hl-8">2</span><span class="hl-1">^| )^</span><span class="hl-8">1</span><span class="hl-1">/</span><span class="hl-8">2</span><span class="hl-1">^</span>
</code></pre>
<p> wR = ( ---------------------------- )
      (        sum|w Y<del>obs</del>^2^|      )</p>
<p> Y<del>obs</del>  = the observed amplitude specified by
           _refine.ls_structure_factor_coef
 Y<del>calc</del> = the calculated amplitude specified by
           _refine.ls_structure_factor_coef
 w       = the least-squares weight</p>
<p> sum is taken over the specified reflections</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="ls_wR_factor_R_work" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> ls_<wbr/>w<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>work<a href="#ls_wR_factor_R_work" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">ls_<wbr/>w<wbr/>R_<wbr/>factor_<wbr/>R_<wbr/>work<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12088</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Weighted residual factor wR for reflections that satisfy the
 resolution limits established by _refine.ls_d_res_high and
 _refine.ls_d_res_low and the observation limit established by
 _reflns.observed_criterion, and that were used as the working
 reflections (i.e. were included in the refinement) when the
 refinement included the calculation of a &#39;free&#39; R factor.
 Details of how reflections were assigned to the working and
 test sets are given in _reflns.R_free_details.</p>
</div><div><pre><code><span class="hl-1">  ( </span><span class="hl-0">sum</span><span class="hl-1">|</span><span class="hl-0">w</span><span class="hl-1"> |</span><span class="hl-2">Y</span><span class="hl-1">~</span><span class="hl-0">obs</span><span class="hl-1">~ - </span><span class="hl-2">Y</span><span class="hl-1">~</span><span class="hl-0">calc</span><span class="hl-1">~|^</span><span class="hl-8">2</span><span class="hl-1">^| )^</span><span class="hl-8">1</span><span class="hl-1">/</span><span class="hl-8">2</span><span class="hl-1">^</span>
</code></pre>
<p> wR = ( ---------------------------- )
      (        sum|w Y<del>obs</del>^2^|      )</p>
<p> Y<del>obs</del>  = the observed amplitude specified by
           _refine.ls_structure_factor_coef
 Y<del>calc</del> = the calculated amplitude specified by
           _refine.ls_structure_factor_coef
 w       = the least-squares weight</p>
<p> sum is taken over the specified reflections</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="occupancy_max" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> occupancy_<wbr/>max<a href="#occupancy_max" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">occupancy_<wbr/>max<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12090</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The maximum value for occupancy found in the coordinate set.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="occupancy_min" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> occupancy_<wbr/>min<a href="#occupancy_min" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">occupancy_<wbr/>min<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12092</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The minimum value for occupancy found in the coordinate set.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="overall_FOM_free_R_set" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> overall_<wbr/>FOM_<wbr/>free_<wbr/>R_<wbr/>set<a href="#overall_FOM_free_R_set" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">overall_<wbr/>FOM_<wbr/>free_<wbr/>R_<wbr/>set<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12120</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Average figure of merit of phases of reflections not included
 in the refinement.</p>
</div><div><p> This value is derived from the likelihood function.</p>
<p> FOM           = I<del>1</del>(X)/I<del>0</del>(X)</p>
<p> I<del>0</del>, I<del>1</del>     = zero- and first-order modified Bessel functions
                 of the first kind
 X              = sigma<del>A</del> |E<del>o</del>| |E<del>c</del>|/SIGMA
 E<del>o</del>, E<del>c</del>     = normalized observed and calculated structure
                 factors
 sigma<del>A</del>       = &lt;cos 2 pi s delta<del>x</del>&gt; SQRT(Sigma<del>P</del>/Sigma<del>N</del>)
                 estimated using maximum likelihood
 Sigma<del>P</del>       = sum<del>{atoms in model}</del> f^2^
 Sigma<del>N</del>       = sum<del>{atoms in crystal}</del> f^2^
 f              = form factor of atoms
 delta<del>x</del>       = expected error
 SIGMA          = (sigma<del>{E;exp}</del>)^2^ + epsilon [1-(sigma<del>A</del>)^2^]
 sigma<del>{E;exp}</del> = uncertainties of normalized observed
                 structure factors
 epsilon       = multiplicity of the diffracting plane</p>
<p> Ref: Murshudov, G. N., Vagin, A. A. &amp; Dodson, E. J. (1997).
      Acta Cryst. D53, 240-255.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="overall_FOM_work_R_set" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> overall_<wbr/>FOM_<wbr/>work_<wbr/>R_<wbr/>set<a href="#overall_FOM_work_R_set" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">overall_<wbr/>FOM_<wbr/>work_<wbr/>R_<wbr/>set<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12148</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Average figure of merit of phases of reflections included in
 the refinement.</p>
</div><div><p> This value is derived from the likelihood function.</p>
<p> FOM           = I<del>1</del>(X)/I<del>0</del>(X)</p>
<p> I<del>0</del>, I<del>1</del>     = zero- and first-order modified Bessel functions
                 of the first kind
 X              = sigma<del>A</del> |E<del>o</del>| |E<del>c</del>|/SIGMA
 E<del>o</del>, E<del>c</del>     = normalized observed and calculated structure
                 factors
 sigma<del>A</del>       = &lt;cos 2 pi s delta<del>x</del>&gt; SQRT(Sigma<del>P</del>/Sigma<del>N</del>)
                 estimated using maximum likelihood
 Sigma<del>P</del>       = sum<del>{atoms in model}</del> f^2^
 Sigma<del>N</del>       = sum<del>{atoms in crystal}</del> f^2^
 f              = form factor of atoms
 delta<del>x</del>       = expected error
 SIGMA          = (sigma<del>{E;exp}</del>)^2^ + epsilon [1-(sigma<del>A</del>)^2^]
 sigma<del>{E;exp}</del> = uncertainties of normalized observed
                 structure factors
 epsilon       = multiplicity of the diffracting plane</p>
<p> Ref: Murshudov, G. N., Vagin, A. A. &amp; Dodson, E. J. (1997).
      Acta Cryst. D53, 240-255.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="overall_SU_B" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> overall_<wbr/>SU_<wbr/>B<a href="#overall_SU_B" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">overall_<wbr/>SU_<wbr/>B<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12195</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall standard uncertainty (estimated standard deviation)
           of the displacement parameters based on a maximum-likelihood
           residual.</p>
</div><div><pre><code><span class="hl-1">       </span><span class="hl-0">The</span><span class="hl-1"> </span><span class="hl-0">overall</span><span class="hl-1"> </span><span class="hl-0">standard</span><span class="hl-1"> </span><span class="hl-6">uncertainty</span><span class="hl-1"> (</span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">B</span><span class="hl-1">~)^</span><span class="hl-8">2</span><span class="hl-1">^ </span><span class="hl-0">gives</span><span class="hl-1"> </span><span class="hl-0">an</span><span class="hl-1"> </span><span class="hl-0">idea</span><br/><span class="hl-1">       </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">uncertainty</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-2">B</span><span class="hl-1"> </span><span class="hl-0">values</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">averagely</span><span class="hl-1"> </span><span class="hl-0">defined</span><br/><span class="hl-1">       </span><span class="hl-6">atoms</span><span class="hl-1"> (</span><span class="hl-0">atoms</span><span class="hl-1"> </span><span class="hl-0">with</span><span class="hl-1"> </span><span class="hl-2">B</span><span class="hl-1"> </span><span class="hl-0">values</span><span class="hl-1"> </span><span class="hl-0">equal</span><span class="hl-1"> </span><span class="hl-0">to</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">average</span><span class="hl-1"> </span><span class="hl-2">B</span><span class="hl-1"> </span><span class="hl-0">value</span><span class="hl-1">).</span><br/><br/><span class="hl-1">                                     </span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">a</span><span class="hl-1">~</span>
</code></pre>
<p>(sigma<del>B</del>)^2^ = 8 ----------------------------------------------
                  sum<del>i</del> {<a href="SUM_AS">1/Sigma - (E<del>o</del>)^2^ (1-m^2^)</a>s^4^}</p>
<pre><code><span class="hl-1">       </span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">a</span><span class="hl-1">~           = </span><span class="hl-0">number</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">atoms</span><br/><span class="hl-1">       </span><span class="hl-2">E</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~           = </span><span class="hl-0">normalized</span><span class="hl-1"> </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">       </span><span class="hl-0">m</span><span class="hl-1">              = </span><span class="hl-0">figure</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">merit</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">phases</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">reflections</span><br/><span class="hl-1">                        </span><span class="hl-0">included</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">summation</span><br/><span class="hl-1">       </span><span class="hl-0">s</span><span class="hl-1">              = </span><span class="hl-0">reciprocal</span><span class="hl-1">-</span><span class="hl-0">space</span><span class="hl-1"> </span><span class="hl-0">vector</span><br/><br/><span class="hl-1">       </span><span class="hl-2">SUM_AS</span><span class="hl-1">         = (</span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">A</span><span class="hl-1">~)^</span><span class="hl-8">2</span><span class="hl-1">^/</span><span class="hl-0">Sigma</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^</span><br/><span class="hl-1">       </span><span class="hl-0">Sigma</span><span class="hl-1">          = (</span><span class="hl-0">sigma</span><span class="hl-1">~{E;</span><span class="hl-0">exp</span><span class="hl-1">}~)^</span><span class="hl-8">2</span><span class="hl-1">^ + </span><span class="hl-0">epsilon</span><span class="hl-1"> [</span><span class="hl-8">1</span><span class="hl-1">-(</span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">A</span><span class="hl-1">~)^</span><span class="hl-8">2</span><span class="hl-1">^]</span><br/><span class="hl-1">       </span><span class="hl-0">sigma</span><span class="hl-1">~{</span><span class="hl-2">E</span><span class="hl-1">;</span><span class="hl-0">exp</span><span class="hl-1">}~  = </span><span class="hl-0">experimental</span><span class="hl-1"> </span><span class="hl-0">uncertainties</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">normalized</span><br/><span class="hl-1">                        </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">       </span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">A</span><span class="hl-1">~        = &lt;</span><span class="hl-4">cos</span><span class="hl-1"> </span><span class="hl-8">2</span><span class="hl-1"> </span><span class="hl-4">pi</span><span class="hl-1"> </span><span class="hl-4">s</span><span class="hl-1"> </span><span class="hl-4">delta</span><span class="hl-1">~</span><span class="hl-4">x</span><span class="hl-1">~&gt; </span><span class="hl-6">SQRT</span><span class="hl-1">(</span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">P</span><span class="hl-1">~/</span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">N</span><span class="hl-1">~)</span><br/><span class="hl-1">                        </span><span class="hl-0">estimated</span><span class="hl-1"> </span><span class="hl-0">using</span><span class="hl-1"> </span><span class="hl-0">maximum</span><span class="hl-1"> </span><span class="hl-0">likelihood</span><br/><span class="hl-1">       </span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">P</span><span class="hl-1">~        = </span><span class="hl-0">sum</span><span class="hl-1">~{</span><span class="hl-0">atoms</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">model</span><span class="hl-1">}~ </span><span class="hl-0">f</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^</span><br/><span class="hl-1">       </span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">N</span><span class="hl-1">~        = </span><span class="hl-0">sum</span><span class="hl-1">~{</span><span class="hl-0">atoms</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">crystal</span><span class="hl-1">}~ </span><span class="hl-0">f</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^</span><br/><span class="hl-1">       </span><span class="hl-0">f</span><span class="hl-1">               = </span><span class="hl-0">atom</span><span class="hl-1"> </span><span class="hl-0">form</span><span class="hl-1"> </span><span class="hl-0">factor</span><br/><span class="hl-1">       </span><span class="hl-0">delta</span><span class="hl-1">~</span><span class="hl-0">x</span><span class="hl-1">~        = </span><span class="hl-0">expected</span><span class="hl-1"> </span><span class="hl-0">error</span><br/><span class="hl-1">       </span><span class="hl-0">epsilon</span><span class="hl-1">         = </span><span class="hl-0">multiplicity</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">diffracting</span><span class="hl-1"> </span><span class="hl-0">plane</span><br/><br/><span class="hl-1">       </span><span class="hl-0">summation</span><span class="hl-1"> </span><span class="hl-0">is</span><span class="hl-1"> </span><span class="hl-0">over</span><span class="hl-1"> </span><span class="hl-0">all</span><span class="hl-1"> </span><span class="hl-0">reflections</span><span class="hl-1"> </span><span class="hl-0">included</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">refinement</span><br/><br/><span class="hl-1">       </span><span class="hl-11">Ref</span><span class="hl-1">: (</span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">A</span><span class="hl-1">~ </span><span class="hl-0">estimation</span><span class="hl-1">) </span><span class="hl-5">&quot;Refinement of macromolecula</span><span class="hl-12">r</span><br/><span class="hl-1">            </span><span class="hl-0">structures</span><span class="hl-1"> </span><span class="hl-0">by</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">maximum</span><span class="hl-1">-</span><span class="hl-0">likelihood</span><span class="hl-1"> </span><span class="hl-0">method</span><span class="hl-5">&quot;</span><span class="hl-12">,</span><br/><span class="hl-1">            </span><span class="hl-0">Murshudov</span><span class="hl-1">, </span><span class="hl-2">G</span><span class="hl-1">. </span><span class="hl-2">N</span><span class="hl-1">., </span><span class="hl-0">Vagin</span><span class="hl-1">, </span><span class="hl-2">A</span><span class="hl-1">. </span><span class="hl-2">A</span><span class="hl-1">. &amp; </span><span class="hl-0">Dodson</span><span class="hl-1">, </span><span class="hl-2">E</span><span class="hl-1">. </span><span class="hl-2">J</span><span class="hl-1">. (</span><span class="hl-8">1997</span><span class="hl-1">).</span><br/><span class="hl-1">            </span><span class="hl-0">Acta</span><span class="hl-1"> </span><span class="hl-0">Cryst</span><span class="hl-1">. </span><span class="hl-2">D53</span><span class="hl-1">, </span><span class="hl-8">240</span><span class="hl-1">-</span><span class="hl-8">255.</span><br/><br/><span class="hl-1">            (</span><span class="hl-2">SU</span><span class="hl-1"> </span><span class="hl-2">B</span><span class="hl-1"> </span><span class="hl-0">estimation</span><span class="hl-1">) </span><span class="hl-0">Murshudov</span><span class="hl-1">, </span><span class="hl-2">G</span><span class="hl-1">. </span><span class="hl-2">N</span><span class="hl-1">. &amp; </span><span class="hl-0">Dodson</span><span class="hl-1">,</span><br/><span class="hl-1">            </span><span class="hl-2">E</span><span class="hl-1">. </span><span class="hl-2">J</span><span class="hl-1">. (</span><span class="hl-8">1997</span><span class="hl-1">). </span><span class="hl-0">Simplified</span><span class="hl-1"> </span><span class="hl-0">error</span><span class="hl-1"> </span><span class="hl-0">estimation</span><span class="hl-1"> </span><span class="hl-0">a</span><span class="hl-1"> </span><span class="hl-0">la</span><br/><span class="hl-1">            </span><span class="hl-0">Cruickshank</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">macromolecular</span><span class="hl-1"> </span><span class="hl-0">crystallography</span><span class="hl-1">.</span><br/><span class="hl-1">            </span><span class="hl-2">CCP4</span><span class="hl-1"> </span><span class="hl-0">Newsletter</span><span class="hl-1"> </span><span class="hl-0">on</span><span class="hl-1"> </span><span class="hl-0">Protein</span><span class="hl-1"> </span><span class="hl-0">Crystallography</span><span class="hl-1">, </span><span class="hl-0">No</span><span class="hl-1">. </span><span class="hl-8">33</span><span class="hl-1">,</span><br/><span class="hl-1">            </span><span class="hl-0">January</span><span class="hl-1"> </span><span class="hl-8">1997</span><span class="hl-1">, </span><span class="hl-0">pp</span><span class="hl-1">. </span><span class="hl-8">31</span><span class="hl-1">-</span><span class="hl-8">39.</span><br/><br/><span class="hl-1">           </span><span class="hl-11">http</span><span class="hl-1">:</span><span class="hl-9">//www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html</span>
</code></pre>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="overall_SU_ML" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> overall_<wbr/>SU_<wbr/>ML<a href="#overall_SU_ML" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">overall_<wbr/>SU_<wbr/>ML<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12242</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall standard uncertainty (estimated standard deviation)
           of the positional parameters based on a maximum likelihood
           residual.</p>
</div><div><pre><code><span class="hl-1">       </span><span class="hl-0">The</span><span class="hl-1"> </span><span class="hl-0">overall</span><span class="hl-1"> </span><span class="hl-0">standard</span><span class="hl-1"> </span><span class="hl-6">uncertainty</span><span class="hl-1"> (</span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">X</span><span class="hl-1">~)^</span><span class="hl-8">2</span><span class="hl-1">^ </span><span class="hl-0">gives</span><span class="hl-1"> </span><span class="hl-0">an</span><br/><span class="hl-1">       </span><span class="hl-0">idea</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">uncertainty</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">position</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">averagely</span><br/><span class="hl-1">       </span><span class="hl-0">defined</span><span class="hl-1"> </span><span class="hl-6">atoms</span><span class="hl-1"> (</span><span class="hl-0">atoms</span><span class="hl-1"> </span><span class="hl-0">with</span><span class="hl-1"> </span><span class="hl-2">B</span><span class="hl-1"> </span><span class="hl-0">values</span><span class="hl-1"> </span><span class="hl-0">equal</span><span class="hl-1"> </span><span class="hl-0">to</span><span class="hl-1"> </span><span class="hl-0">average</span><span class="hl-1"> </span><span class="hl-2">B</span><span class="hl-1"> </span><span class="hl-0">value</span><span class="hl-1">)</span><br/><br/><span class="hl-1">             </span><span class="hl-8">3</span><span class="hl-1">                         </span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">a</span><span class="hl-1">~</span>
</code></pre>
<p>(sigma<del>X</del>)^2^  = ---------------------------------------------------------
                 8 pi^2^ sum<del>i</del> {<a href="SUM_AS">1/Sigma - (E<del>o</del>)^2^ (1-m^2^)</a>s^2^}</p>
<pre><code><span class="hl-1">       </span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">a</span><span class="hl-1">~           = </span><span class="hl-0">number</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">atoms</span><br/><span class="hl-1">       </span><span class="hl-2">E</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~           = </span><span class="hl-0">normalized</span><span class="hl-1"> </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">       </span><span class="hl-0">m</span><span class="hl-1">              = </span><span class="hl-0">figure</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">merit</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">phases</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">reflections</span><br/><span class="hl-1">                        </span><span class="hl-0">included</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">summation</span><br/><span class="hl-1">       </span><span class="hl-0">s</span><span class="hl-1">              = </span><span class="hl-0">reciprocal</span><span class="hl-1">-</span><span class="hl-0">space</span><span class="hl-1"> </span><span class="hl-0">vector</span><br/><br/><span class="hl-1">       </span><span class="hl-2">SUM_AS</span><span class="hl-1">         = (</span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">A</span><span class="hl-1">~)^</span><span class="hl-8">2</span><span class="hl-1">^/</span><span class="hl-0">Sigma</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^</span><br/><span class="hl-1">       </span><span class="hl-0">Sigma</span><span class="hl-1">          = (</span><span class="hl-0">sigma</span><span class="hl-1">~{E;</span><span class="hl-0">exp</span><span class="hl-1">}~)^</span><span class="hl-8">2</span><span class="hl-1">^ + </span><span class="hl-0">epsilon</span><span class="hl-1"> [</span><span class="hl-8">1</span><span class="hl-1">-(</span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">A</span><span class="hl-1">~)^</span><span class="hl-8">2</span><span class="hl-1">^]</span><br/><span class="hl-1">       </span><span class="hl-0">sigma</span><span class="hl-1">~{</span><span class="hl-2">E</span><span class="hl-1">;</span><span class="hl-0">exp</span><span class="hl-1">}~  = </span><span class="hl-0">experimental</span><span class="hl-1"> </span><span class="hl-0">uncertainties</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">normalized</span><br/><span class="hl-1">                        </span><span class="hl-0">structure</span><span class="hl-1"> </span><span class="hl-0">factors</span><br/><span class="hl-1">       </span><span class="hl-0">sigma</span><span class="hl-1">~</span><span class="hl-2">A</span><span class="hl-1">~        = &lt;</span><span class="hl-4">cos</span><span class="hl-1"> </span><span class="hl-8">2</span><span class="hl-1"> </span><span class="hl-4">pi</span><span class="hl-1"> </span><span class="hl-4">s</span><span class="hl-1"> </span><span class="hl-4">delta</span><span class="hl-1">~</span><span class="hl-4">x</span><span class="hl-1">~&gt; </span><span class="hl-6">SQRT</span><span class="hl-1">(</span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">P</span><span class="hl-1">~/</span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">N</span><span class="hl-1">~)</span><br/><span class="hl-1">                        </span><span class="hl-0">estimated</span><span class="hl-1"> </span><span class="hl-0">using</span><span class="hl-1"> </span><span class="hl-0">maximum</span><span class="hl-1"> </span><span class="hl-0">likelihood</span><br/><span class="hl-1">       </span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">P</span><span class="hl-1">~        = </span><span class="hl-0">sum</span><span class="hl-1">~{</span><span class="hl-0">atoms</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">model</span><span class="hl-1">}~ </span><span class="hl-0">f</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^</span><br/><span class="hl-1">       </span><span class="hl-0">Sigma</span><span class="hl-1">~</span><span class="hl-2">N</span><span class="hl-1">~        = </span><span class="hl-0">sum</span><span class="hl-1">~{</span><span class="hl-0">atoms</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">crystal</span><span class="hl-1">}~ </span><span class="hl-0">f</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^</span><br/><span class="hl-1">       </span><span class="hl-0">f</span><span class="hl-1">               = </span><span class="hl-0">atom</span><span class="hl-1"> </span><span class="hl-0">form</span><span class="hl-1"> </span><span class="hl-0">factor</span><br/><span class="hl-1">       </span><span class="hl-0">delta</span><span class="hl-1">~</span><span class="hl-0">x</span><span class="hl-1">~        = </span><span class="hl-0">expected</span><span class="hl-1"> </span><span class="hl-0">error</span><br/><span class="hl-1">       </span><span class="hl-0">epsilon</span><span class="hl-1">         = </span><span class="hl-0">multiplicity</span><span class="hl-1"> </span><span class="hl-3">of</span><span class="hl-1"> </span><span class="hl-0">diffracting</span><span class="hl-1"> </span><span class="hl-0">plane</span><br/><br/><span class="hl-1">       </span><span class="hl-0">summation</span><span class="hl-1"> </span><span class="hl-0">is</span><span class="hl-1"> </span><span class="hl-0">over</span><span class="hl-1"> </span><span class="hl-0">all</span><span class="hl-1"> </span><span class="hl-0">reflections</span><span class="hl-1"> </span><span class="hl-0">included</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">refinement</span><br/><br/><span class="hl-1">       </span><span class="hl-11">Ref</span><span class="hl-1">: (</span><span class="hl-0">sigma_A</span><span class="hl-1"> </span><span class="hl-0">estimation</span><span class="hl-1">) </span><span class="hl-5">&quot;Refinement of macromolecula</span><span class="hl-12">r</span><br/><span class="hl-1">            </span><span class="hl-0">structures</span><span class="hl-1"> </span><span class="hl-0">by</span><span class="hl-1"> </span><span class="hl-0">the</span><span class="hl-1"> </span><span class="hl-0">maximum</span><span class="hl-1">-</span><span class="hl-0">likelihood</span><span class="hl-1"> </span><span class="hl-0">method</span><span class="hl-5">&quot;</span><span class="hl-12">,</span><br/><span class="hl-1">            </span><span class="hl-0">Murshudov</span><span class="hl-1">, </span><span class="hl-2">G</span><span class="hl-1">. </span><span class="hl-2">N</span><span class="hl-1">., </span><span class="hl-0">Vagin</span><span class="hl-1">, </span><span class="hl-2">A</span><span class="hl-1">. </span><span class="hl-2">A</span><span class="hl-1">. &amp; </span><span class="hl-0">Dodson</span><span class="hl-1">, </span><span class="hl-2">E</span><span class="hl-1">. </span><span class="hl-2">J</span><span class="hl-1">. (</span><span class="hl-8">1997</span><span class="hl-1">).</span><br/><span class="hl-1">            </span><span class="hl-0">Acta</span><span class="hl-1"> </span><span class="hl-0">Cryst</span><span class="hl-1">. </span><span class="hl-2">D53</span><span class="hl-1">, </span><span class="hl-8">240</span><span class="hl-1">-</span><span class="hl-8">255.</span><br/><br/><span class="hl-1">            (</span><span class="hl-2">SU</span><span class="hl-1"> </span><span class="hl-2">ML</span><span class="hl-1"> </span><span class="hl-0">estimation</span><span class="hl-1">) </span><span class="hl-0">Murshudov</span><span class="hl-1">, </span><span class="hl-2">G</span><span class="hl-1">. </span><span class="hl-2">N</span><span class="hl-1">. &amp; </span><span class="hl-0">Dodson</span><span class="hl-1">,</span><br/><span class="hl-1">            </span><span class="hl-2">E</span><span class="hl-1">. </span><span class="hl-2">J</span><span class="hl-1">. (</span><span class="hl-8">1997</span><span class="hl-1">). </span><span class="hl-0">Simplified</span><span class="hl-1"> </span><span class="hl-0">error</span><span class="hl-1"> </span><span class="hl-0">estimation</span><span class="hl-1"> </span><span class="hl-0">a</span><span class="hl-1"> </span><span class="hl-0">la</span><br/><span class="hl-1">            </span><span class="hl-0">Cruickshank</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">macromolecular</span><span class="hl-1"> </span><span class="hl-0">crystallography</span><span class="hl-1">.</span><br/><span class="hl-1">            </span><span class="hl-2">CCP4</span><span class="hl-1"> </span><span class="hl-0">Newsletter</span><span class="hl-1"> </span><span class="hl-0">on</span><span class="hl-1"> </span><span class="hl-0">Protein</span><span class="hl-1"> </span><span class="hl-0">Crystallography</span><span class="hl-1">, </span><span class="hl-0">No</span><span class="hl-1">. </span><span class="hl-8">33</span><span class="hl-1">,</span><br/><span class="hl-1">            </span><span class="hl-0">January</span><span class="hl-1"> </span><span class="hl-8">1997</span><span class="hl-1">, </span><span class="hl-0">pp</span><span class="hl-1">. </span><span class="hl-8">31</span><span class="hl-1">-</span><span class="hl-8">39.</span><br/><br/><span class="hl-1">           </span><span class="hl-11">http</span><span class="hl-1">:</span><span class="hl-9">//www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html</span>
</code></pre>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="overall_SU_R_Cruickshank_DPI" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> overall_<wbr/>SU_<wbr/>R_<wbr/>Cruickshank_<wbr/>DPI<a href="#overall_SU_R_Cruickshank_DPI" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">overall_<wbr/>SU_<wbr/>R_<wbr/>Cruickshank_<wbr/>DPI<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12275</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall standard uncertainty (estimated standard deviation)
 of the displacement parameters based on the crystallographic
 R value, expressed in a formalism known as the dispersion
 precision indicator (DPI).</p>
</div><div><p> The overall standard uncertainty (sigma<del>B</del>) gives an idea
 of the uncertainty in the B values of averagely defined
 atoms (atoms with B values equal to the average B value).</p>
<pre><code><span class="hl-1">                    </span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">a</span><span class="hl-1">~</span>
</code></pre>
<p> (sigma<del>B</del>)^2^ = 0.65 ---------- (R<del>value</del>)^2^ (D<del>min</del>)^2^ C^-2/3^
                      (N<del>o</del>-N<del>p</del>)</p>
<p> N<del>a</del>     = number of atoms included in refinement
 N<del>o</del>     = number of observations
 N<del>p</del>     = number of parameters refined
 R<del>value</del> = conventional crystallographic R value
 D<del>min</del>   = maximum resolution
 C        = completeness of data</p>
<p> Ref: Cruickshank, D. W. J. (1999). Acta Cryst. D55, 583-601.</p>
<pre><code><span class="hl-1">  </span><span class="hl-0">Murshudov</span><span class="hl-1">, </span><span class="hl-2">G</span><span class="hl-1">. </span><span class="hl-2">N</span><span class="hl-1">. &amp; </span><span class="hl-0">Dodson</span><span class="hl-1">,</span><br/><span class="hl-1">  </span><span class="hl-2">E</span><span class="hl-1">. </span><span class="hl-2">J</span><span class="hl-1">. (</span><span class="hl-8">1997</span><span class="hl-1">). </span><span class="hl-0">Simplified</span><span class="hl-1"> </span><span class="hl-0">error</span><span class="hl-1"> </span><span class="hl-0">estimation</span><span class="hl-1"> </span><span class="hl-0">a</span><span class="hl-1"> </span><span class="hl-0">la</span><br/><span class="hl-1">  </span><span class="hl-0">Cruickshank</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">macromolecular</span><span class="hl-1"> </span><span class="hl-0">crystallography</span><span class="hl-1">.</span><br/><span class="hl-1">  </span><span class="hl-2">CCP4</span><span class="hl-1"> </span><span class="hl-0">Newsletter</span><span class="hl-1"> </span><span class="hl-0">on</span><span class="hl-1"> </span><span class="hl-0">Protein</span><span class="hl-1"> </span><span class="hl-0">Crystallography</span><span class="hl-1">, </span><span class="hl-0">No</span><span class="hl-1">. </span><span class="hl-8">33</span><span class="hl-1">,</span><br/><span class="hl-1">  </span><span class="hl-0">January</span><span class="hl-1"> </span><span class="hl-8">1997</span><span class="hl-1">, </span><span class="hl-0">pp</span><span class="hl-1">. </span><span class="hl-8">31</span><span class="hl-1">-</span><span class="hl-8">39.</span><br/><br/><span class="hl-1"> </span><span class="hl-11">http</span><span class="hl-1">:</span><span class="hl-9">//www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html</span>
</code></pre>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="overall_SU_R_free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> overall_<wbr/>SU_<wbr/>R_<wbr/>free<a href="#overall_SU_R_free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">overall_<wbr/>SU_<wbr/>R_<wbr/>free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12307</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall standard uncertainty (estimated standard deviation)
 of the displacement parameters based on the free R value.</p>
</div><div><p> The overall standard uncertainty (sigma<del>B</del>) gives an idea
 of the uncertainty in the B values of averagely defined
 atoms (atoms with B values equal to the average B value).</p>
<pre><code><span class="hl-1">                    </span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">a</span><span class="hl-1">~</span>
</code></pre>
<p> (sigma<del>B</del>)^2^ = 0.65 ---------- (R<del>free</del>)^2^ (D<del>min</del>)^2^ C^-2/3^
                      (N<del>o</del>-N<del>p</del>)</p>
<p> N<del>a</del>     = number of atoms included in refinement
 N<del>o</del>     = number of observations
 N<del>p</del>     = number of parameters refined
 R<del>free</del>  = conventional free crystallographic R value calculated
          using reflections not included in refinement
 D<del>min</del>   = maximum resolution
 C        = completeness of data</p>
<p> Ref: Cruickshank, D. W. J. (1999). Acta Cryst. D55, 583-601.</p>
<pre><code><span class="hl-1">  </span><span class="hl-0">Murshudov</span><span class="hl-1">, </span><span class="hl-2">G</span><span class="hl-1">. </span><span class="hl-2">N</span><span class="hl-1">. &amp; </span><span class="hl-0">Dodson</span><span class="hl-1">,</span><br/><span class="hl-1">  </span><span class="hl-2">E</span><span class="hl-1">. </span><span class="hl-2">J</span><span class="hl-1">. (</span><span class="hl-8">1997</span><span class="hl-1">). </span><span class="hl-0">Simplified</span><span class="hl-1"> </span><span class="hl-0">error</span><span class="hl-1"> </span><span class="hl-0">estimation</span><span class="hl-1"> </span><span class="hl-0">a</span><span class="hl-1"> </span><span class="hl-0">la</span><br/><span class="hl-1">  </span><span class="hl-0">Cruickshank</span><span class="hl-1"> </span><span class="hl-3">in</span><span class="hl-1"> </span><span class="hl-0">macromolecular</span><span class="hl-1"> </span><span class="hl-0">crystallography</span><span class="hl-1">.</span><br/><span class="hl-1">  </span><span class="hl-2">CCP4</span><span class="hl-1"> </span><span class="hl-0">Newsletter</span><span class="hl-1"> </span><span class="hl-0">on</span><span class="hl-1"> </span><span class="hl-0">Protein</span><span class="hl-1"> </span><span class="hl-0">Crystallography</span><span class="hl-1">, </span><span class="hl-0">No</span><span class="hl-1">. </span><span class="hl-8">33</span><span class="hl-1">,</span><br/><span class="hl-1">  </span><span class="hl-0">January</span><span class="hl-1"> </span><span class="hl-8">1997</span><span class="hl-1">, </span><span class="hl-0">pp</span><span class="hl-1">. </span><span class="hl-8">31</span><span class="hl-1">-</span><span class="hl-8">39.</span><br/><br/><span class="hl-1"> </span><span class="hl-11">http</span><span class="hl-1">:</span><span class="hl-9">//www.ccp4.ac.uk/newsletters/newsletter33/murshudov.html</span>
</code></pre>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_R_Free_selection_details" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>R_<wbr/>Free_<wbr/>selection_<wbr/>details<a href="#pdbx_R_Free_selection_details" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>R_<wbr/>Free_<wbr/>selection_<wbr/>details<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12316</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Details of the manner in which the cross validation
 reflections were selected.</p>
</div><div><p>Examples:
Random selection</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_TLS_residual_ADP_flag" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>TLS_<wbr/>residual_<wbr/>ADP_<wbr/>flag<a href="#pdbx_TLS_residual_ADP_flag" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>TLS_<wbr/>residual_<wbr/>ADP_<wbr/>flag<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12325</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>A flag for TLS refinements identifying the type of atomic displacement parameters stored
 in _atom_site.B_iso_or_equiv.</p>
</div><div><p>Allowable values:
LIKELY RESIDUAL, UNVERIFIED</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_average_fsc_free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>average_<wbr/>fsc_<wbr/>free<a href="#pdbx_average_fsc_free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>average_<wbr/>fsc_<wbr/>free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12361</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Average Fourier Shell Correlation (avgFSC) between model and
 observed structure factors for reflections not included in refinement.</p>
</div><div><p> The average FSC is a measure of the agreement between observed
 and calculated structure factors.</p>
<pre><code><span class="hl-1">              </span><span class="hl-6">sum</span><span class="hl-1">(</span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~ </span><span class="hl-2">FSC</span><span class="hl-1">~</span><span class="hl-0">free</span><span class="hl-1">-</span><span class="hl-0">i</span><span class="hl-1">~)</span>
</code></pre>
<p> avgFSC<del>free</del>   = ---------------------
                  sum(N<del>i</del>)</p>
<p> N<del>i</del>          = the number of free reflections in the resolution shell i
 FSC<del>free-i</del>   = FSC for free reflections in the i-th resolution shell calculated as:</p>
<pre><code><span class="hl-1">            (</span><span class="hl-6">sum</span><span class="hl-1">(|</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~| |</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">c</span><span class="hl-1">~| </span><span class="hl-0">fom</span><span class="hl-1"> </span><span class="hl-6">cos</span><span class="hl-1">(</span><span class="hl-0">phi</span><span class="hl-1">~</span><span class="hl-0">c</span><span class="hl-1">~-</span><span class="hl-0">phi</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~)))</span>
</code></pre>
<p> FSC<del>free-i</del>  = -------------------------------------------
                (sum(|F<del>o</del>|^2^) (sum(|F<del>c</del>|^2^)))^1/2^</p>
<p> |F<del>o</del>|   = amplitude of observed structure factor
 |F<del>c</del>|   = amplitude of calculated structure factor
 phi<del>o</del>   = phase of observed structure factor
 phi<del>c</del>   = phase of calculated structure factor
 fom      = figure of merit of the experimental phases.</p>
<p> Summation of FSC<del>free-i</del> is carried over all free reflections in the resolution shell.</p>
<p> Summation of avgFSC<del>free</del> is carried over all resolution shells.</p>
<p> Ref:  Rosenthal P.B., Henderson R.
       &quot;Optimal determination of particle orientation, absolute hand,
       and contrast loss in single-particle electron cryomicroscopy.
       Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_average_fsc_overall" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>average_<wbr/>fsc_<wbr/>overall<a href="#pdbx_average_fsc_overall" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>average_<wbr/>fsc_<wbr/>overall<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12397</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Overall average Fourier Shell Correlation (avgFSC) between model and
 observed structure factors for all reflections.</p>
</div><div><p> The average FSC is a measure of the agreement between observed
 and calculated structure factors.</p>
<pre><code><span class="hl-1">        </span><span class="hl-6">sum</span><span class="hl-1">(</span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~ </span><span class="hl-2">FSC</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~)</span>
</code></pre>
<p> avgFSC   = ----------------
            sum(N<del>i</del>)</p>
<p> N<del>i</del>     = the number of all reflections in the resolution shell i
 FSC<del>i</del>   = FSC for all reflections in the i-th resolution shell calculated as:</p>
<pre><code><span class="hl-1">       (</span><span class="hl-6">sum</span><span class="hl-1">(|</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~| |</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">c</span><span class="hl-1">~| </span><span class="hl-0">fom</span><span class="hl-1"> </span><span class="hl-6">cos</span><span class="hl-1">(</span><span class="hl-0">phi</span><span class="hl-1">~</span><span class="hl-0">c</span><span class="hl-1">~-</span><span class="hl-0">phi</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~)))</span>
</code></pre>
<p> FSC<del>i</del>  = -------------------------------------------
           (sum(|F<del>o</del>|^2^) (sum(|F<del>c</del>|^2^)))^1/2^</p>
<p> |F<del>o</del>|   = amplitude of observed structure factor
 |F<del>c</del>|   = amplitude of calculated structure factor
 phi<del>o</del>   = phase of observed structure factor
 phi<del>c</del>   = phase of calculated structure factor
 fom      = figure of merit of the experimental phases.</p>
<p> Summation of FSC<del>i</del> is carried over all reflections in the resolution shell.</p>
<p> Summation of avgFSC is carried over all resolution shells.</p>
<p> Ref:  Rosenthal P.B., Henderson R.
       &quot;Optimal determination of particle orientation, absolute hand,
       and contrast loss in single-particle electron cryomicroscopy.
       Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_average_fsc_work" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>average_<wbr/>fsc_<wbr/>work<a href="#pdbx_average_fsc_work" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>average_<wbr/>fsc_<wbr/>work<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12433</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Average Fourier Shell Correlation (avgFSC) between model and
 observed structure factors for reflections included in refinement.</p>
</div><div><p> The average FSC is a measure of the agreement between observed
 and calculated structure factors.</p>
<pre><code><span class="hl-1">              </span><span class="hl-6">sum</span><span class="hl-1">(</span><span class="hl-2">N</span><span class="hl-1">~</span><span class="hl-0">i</span><span class="hl-1">~ </span><span class="hl-2">FSC</span><span class="hl-1">~</span><span class="hl-0">work</span><span class="hl-1">-</span><span class="hl-0">i</span><span class="hl-1">~)</span>
</code></pre>
<p> avgFSC<del>work</del>   = ---------------------
                  sum(N<del>i</del>)</p>
<p> N<del>i</del>          = the number of working reflections in the resolution shell i
 FSC<del>work-i</del>   = FSC for working reflections in the i-th resolution shell calculated as:</p>
<pre><code><span class="hl-1">            (</span><span class="hl-6">sum</span><span class="hl-1">(|</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~| |</span><span class="hl-2">F</span><span class="hl-1">~</span><span class="hl-0">c</span><span class="hl-1">~| </span><span class="hl-0">fom</span><span class="hl-1"> </span><span class="hl-6">cos</span><span class="hl-1">(</span><span class="hl-0">phi</span><span class="hl-1">~</span><span class="hl-0">c</span><span class="hl-1">~-</span><span class="hl-0">phi</span><span class="hl-1">~</span><span class="hl-0">o</span><span class="hl-1">~)))</span>
</code></pre>
<p> FSC<del>work-i</del>  = -------------------------------------------
                (sum(|F<del>o</del>|^2^) (sum(|F<del>c</del>|^2^)))^1/2^</p>
<p> |F<del>o</del>|   = amplitude of observed structure factor
 |F<del>c</del>|   = amplitude of calculated structure factor
 phi<del>o</del>   = phase of observed structure factor
 phi<del>c</del>   = phase of calculated structure factor
 fom      = figure of merit of the experimental phases.</p>
<p> Summation of FSC<del>work-i</del> is carried over all working reflections in the resolution shell.</p>
<p> Summation of avgFSC<del>work</del> is carried over all resolution shells.</p>
<p> Ref:  Rosenthal P.B., Henderson R.
       &quot;Optimal determination of particle orientation, absolute hand,
       and contrast loss in single-particle electron cryomicroscopy.
       Journal of Molecular Biology. 2003;333(4):721-745, equation (A6).</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_data_cutoff_high_absF" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>high_<wbr/>absF<a href="#pdbx_data_cutoff_high_absF" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>high_<wbr/>absF<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12435</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Value of F at &quot;high end&quot; of data cutoff.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_data_cutoff_high_rms_absF" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>high_<wbr/>rms_<wbr/>absF<a href="#pdbx_data_cutoff_high_rms_absF" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>high_<wbr/>rms_<wbr/>absF<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12443</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Value of RMS |F| used as high data cutoff.</p>
</div><div><p>Examples:
null</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_data_cutoff_low_absF" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>low_<wbr/>absF<a href="#pdbx_data_cutoff_low_absF" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>data_<wbr/>cutoff_<wbr/>low_<wbr/>absF<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12451</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Value of F at &quot;low end&quot; of data cutoff.</p>
</div><div><p>Examples:
null</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_diffrn_id" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>diffrn_<wbr/>id<a href="#pdbx_diffrn_id" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>diffrn_<wbr/>id<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span><span class="tsd-signature-symbol">[]</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12457</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>An identifier for the diffraction data set used in this refinement.</p>
</div><div><p> Multiple diffraction data sets specified as a comma separated list.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_isotropic_thermal_model" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>isotropic_<wbr/>thermal_<wbr/>model<a href="#pdbx_isotropic_thermal_model" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>isotropic_<wbr/>thermal_<wbr/>model<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12466</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Whether the structure was refined with indvidual
isotropic, anisotropic or overall temperature factor.</p>
</div><div><p>Examples:
Isotropic, Overall</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_ls_cross_valid_method" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>ls_<wbr/>cross_<wbr/>valid_<wbr/>method<a href="#pdbx_ls_cross_valid_method" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>cross_<wbr/>valid_<wbr/>method<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12475</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Whether the cross validataion method was used through
out or only at the end.</p>
</div><div><p>Examples:
FREE R-VALUE</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_ls_sigma_F" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>F<a href="#pdbx_ls_sigma_F" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>F<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12477</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Data cutoff (SIGMA(F))</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_ls_sigma_Fsqd" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>Fsqd<a href="#pdbx_ls_sigma_Fsqd" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>Fsqd<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12479</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Data cutoff (SIGMA(F^2))</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_ls_sigma_I" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>I<a href="#pdbx_ls_sigma_I" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>ls_<wbr/>sigma_<wbr/>I<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12481</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Data cutoff (SIGMA(I))</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_method_to_determine_struct" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>method_<wbr/>to_<wbr/>determine_<wbr/>struct<a href="#pdbx_method_to_determine_struct" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>method_<wbr/>to_<wbr/>determine_<wbr/>struct<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12489</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Method(s) used to determine the structure.</p>
</div><div><p>Examples:
AB INITIO PHASING, DM, ISAS, ISIR, ISIRAS, MAD, MIR, MIRAS, MR, SIR, SIRAS</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_overall_ESU_R" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>overall_<wbr/>ESU_<wbr/>R<a href="#pdbx_overall_ESU_R" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>ESU_<wbr/>R<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12494</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Overall estimated standard uncertainties of positional
 parameters based on R value.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_overall_ESU_R_Free" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>overall_<wbr/>ESU_<wbr/>R_<wbr/>Free<a href="#pdbx_overall_ESU_R_Free" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>ESU_<wbr/>R_<wbr/>Free<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12496</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Overall estimated standard uncertainties of positional parameters based on R free value.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_overall_SU_R_Blow_DPI" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>Blow_<wbr/>DPI<a href="#pdbx_overall_SU_R_Blow_DPI" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>Blow_<wbr/>DPI<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12505</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall standard uncertainty (estimated standard deviation)
 of the displacement parameters based on the crystallographic
 R value, expressed in a formalism known as the dispersion
 precision indicator (DPI).</p>
</div><div><p> Ref: Blow, D (2002) Acta Cryst. D58, 792-797</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_overall_SU_R_free_Blow_DPI" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>free_<wbr/>Blow_<wbr/>DPI<a href="#pdbx_overall_SU_R_free_Blow_DPI" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>free_<wbr/>Blow_<wbr/>DPI<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12514</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall standard uncertainty (estimated standard deviation)
 of the displacement parameters based on the crystallographic
 R-free value, expressed in a formalism known as the dispersion
 precision indicator (DPI).</p>
</div><div><p> Ref: Blow, D (2002) Acta Cryst. D58, 792-797</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_overall_SU_R_free_Cruickshank_DPI" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>free_<wbr/>Cruickshank_<wbr/>DPI<a href="#pdbx_overall_SU_R_free_Cruickshank_DPI" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>SU_<wbr/>R_<wbr/>free_<wbr/>Cruickshank_<wbr/>DPI<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12523</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall standard uncertainty (estimated standard deviation)
 of the displacement parameters based on the crystallographic
 R-free value, expressed in a formalism known as the dispersion
 precision indicator (DPI).</p>
</div><div><p> Ref: Cruickshank, D. W. J. (1999). Acta Cryst. D55, 583-601.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_overall_phase_error" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>overall_<wbr/>phase_<wbr/>error<a href="#pdbx_overall_phase_error" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>overall_<wbr/>phase_<wbr/>error<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12532</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The overall phase error for all reflections after refinement using
 the current refinement target.</p>
</div><div><p>Examples:
null</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_refine_id" class="tsd-anchor"></a><h3 class="tsd-anchor-link">pdbx_<wbr/>refine_<wbr/>id<a href="#pdbx_refine_id" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>refine_<wbr/>id<span class="tsd-signature-symbol">:</span> <span class="tsd-signature-type">string</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12538</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>This data item uniquely identifies a refinement within an entry.
 _refine.pdbx_refine_id can be used to distinguish the results of
 joint refinements.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_solvent_ion_probe_radii" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>solvent_<wbr/>ion_<wbr/>probe_<wbr/>radii<a href="#pdbx_solvent_ion_probe_radii" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>solvent_<wbr/>ion_<wbr/>probe_<wbr/>radii<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12540</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>For bulk solvent mask calculation, the amount that the ionic radii of atoms, which can be ions, are increased used.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_solvent_shrinkage_radii" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>solvent_<wbr/>shrinkage_<wbr/>radii<a href="#pdbx_solvent_shrinkage_radii" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>solvent_<wbr/>shrinkage_<wbr/>radii<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12542</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>For bulk solvent mask calculation, amount mask is shrunk after taking away atoms with new radii and a constant value assigned to this new region.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_solvent_vdw_probe_radii" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>solvent_<wbr/>vdw_<wbr/>probe_<wbr/>radii<a href="#pdbx_solvent_vdw_probe_radii" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>solvent_<wbr/>vdw_<wbr/>probe_<wbr/>radii<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12544</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>For bulk solvent mask calculation, the value by which the vdw radii of non-ion atoms (like carbon) are increased and used.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_starting_model" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>starting_<wbr/>model<a href="#pdbx_starting_model" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>starting_<wbr/>model<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12554</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Starting model for refinement.  Starting model for
 molecular replacement should refer to a previous
 structure or experiment.</p>
</div><div><p>Examples:
1XYZ, 2XYZ, BDL001</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_stereochem_target_val_spec_case" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>stereochem_<wbr/>target_<wbr/>val_<wbr/>spec_<wbr/>case<a href="#pdbx_stereochem_target_val_spec_case" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>stereochem_<wbr/>target_<wbr/>val_<wbr/>spec_<wbr/>case<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12559</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Special case of stereochemistry target values used
in SHELXL refinement.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="pdbx_stereochemistry_target_values" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> pdbx_<wbr/>stereochemistry_<wbr/>target_<wbr/>values<a href="#pdbx_stereochemistry_target_values" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">pdbx_<wbr/>stereochemistry_<wbr/>target_<wbr/>values<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12561</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Stereochemistry target values used in refinement.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="solvent_model_details" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> solvent_<wbr/>model_<wbr/>details<a href="#solvent_model_details" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">solvent_<wbr/>model_<wbr/>details<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">string</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12563</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>Special aspects of the solvent model used during refinement.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="solvent_model_param_bsol" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> solvent_<wbr/>model_<wbr/>param_<wbr/>bsol<a href="#solvent_model_param_bsol" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">solvent_<wbr/>model_<wbr/>param_<wbr/>bsol<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12581</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The value of the BSOL solvent-model parameter describing
 the average isotropic displacement parameter of disordered
 solvent atoms.</p>
</div><div><p> This is one of the two parameters (the other is
 _refine.solvent_model_param_ksol) in Tronrud&#39;s method of
 modelling the contribution of bulk solvent to the
 scattering. The standard scale factor is modified according
 to the expression</p>
<pre><code><span class="hl-1"> </span><span class="hl-0">k0</span><span class="hl-1"> </span><span class="hl-6">exp</span><span class="hl-1">(-</span><span class="hl-2">B0</span><span class="hl-1"> * </span><span class="hl-0">s</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^)[</span><span class="hl-8">1</span><span class="hl-1">-</span><span class="hl-2">KSOL</span><span class="hl-1"> * </span><span class="hl-6">exp</span><span class="hl-1">(-</span><span class="hl-2">BSOL</span><span class="hl-1"> * </span><span class="hl-0">s</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^)]</span>
</code></pre>
<p> where k0 and B0 are the scale factors for the protein.</p>
<p> Ref: Tronrud, D. E. (1997). Methods Enzymol. 277, 243-268.</p>
</div></div></section><section class="tsd-panel tsd-member tsd-kind-property tsd-parent-kind-interface tsd-is-external"><a id="solvent_model_param_ksol" class="tsd-anchor"></a><h3 class="tsd-anchor-link"><span class="tsd-flag ts-flagOptional">Optional</span> solvent_<wbr/>model_<wbr/>param_<wbr/>ksol<a href="#solvent_model_param_ksol" aria-label="Permalink" class="tsd-anchor-icon"><svg xmlns="http://www.w3.org/2000/svg" class="icon icon-tabler icon-tabler-link" viewBox="0 0 24 24" stroke-width="2" stroke="currentColor" fill="none" stroke-linecap="round" stroke-linejoin="round"><path stroke="none" d="M0 0h24v24H0z" fill="none"></path><path d="M10 14a3.5 3.5 0 0 0 5 0l4 -4a3.5 3.5 0 0 0 -5 -5l-.5 .5"></path><path d="M14 10a3.5 3.5 0 0 0 -5 0l-4 4a3.5 3.5 0 0 0 5 5l.5 -.5"></path></svg></a></h3><div class="tsd-signature tsd-kind-icon">solvent_<wbr/>model_<wbr/>param_<wbr/>ksol<span class="tsd-signature-symbol">?:</span> <a href="../modules/RcsbFv3DAssembly._internal_.html" class="tsd-signature-type" data-tsd-kind="Namespace">&lt;internal&gt;</a><span class="tsd-signature-symbol">.</span><a href="../modules/RcsbFv3DAssembly._internal_.html#Maybe-1" class="tsd-signature-type" data-tsd-kind="Type alias">Maybe</a><span class="tsd-signature-symbol">&lt;</span><span class="tsd-signature-type">number</span><span class="tsd-signature-symbol">&gt;</span></div><aside class="tsd-sources"><ul><li>Defined in node_modules/@rcsb/rcsb-api-tools/build/RcsbGraphQL/Types/Yosemite/GqlTypes.d.ts:12599</li></ul></aside><div class="tsd-comment tsd-typography"><div class="lead">
<p>The value of the KSOL solvent-model parameter describing
 the ratio of the electron density in the bulk solvent to the
 electron density in the molecular solute.</p>
</div><div><p> This is one of the two parameters (the other is
 _refine.solvent_model_param_bsol) in Tronrud&#39;s method of
 modelling the contribution of bulk solvent to the
 scattering. The standard scale factor is modified according
 to the expression</p>
<pre><code><span class="hl-1"> </span><span class="hl-0">k0</span><span class="hl-1"> </span><span class="hl-6">exp</span><span class="hl-1">(-</span><span class="hl-2">B0</span><span class="hl-1"> * </span><span class="hl-0">s</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^)[</span><span class="hl-8">1</span><span class="hl-1">-</span><span class="hl-2">KSOL</span><span class="hl-1"> * </span><span class="hl-6">exp</span><span class="hl-1">(-</span><span class="hl-2">BSOL</span><span class="hl-1"> * </span><span class="hl-0">s</span><span class="hl-1">^</span><span class="hl-8">2</span><span class="hl-1">^)]</span>
</code></pre>
<p> where k0 and B0 are the scale factors for the protein.</p>
<p> Ref: Tronrud, D. E. (1997). Methods Enzymol. 277, 243-268.</p>
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