Interface RefineAnalyze

Hierarchy

RefineAnalyze

Index

Properties

Properties

Optional Luzzati_coordinate_error_free

Luzzati_coordinate_error_free?: <internal>.Maybe<number>

The estimated coordinate error obtained from the plot of the R value versus sin(theta)/lambda for the reflections treated as a test set during refinement.

Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.

Optional Luzzati_coordinate_error_obs

Luzzati_coordinate_error_obs?: <internal>.Maybe<number>

The estimated coordinate error obtained from the plot of the R value versus sin(theta)/lambda for reflections classified as observed.

Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.

Optional Luzzati_d_res_low_free

Luzzati_d_res_low_free?: <internal>.Maybe<number>

The value of the low-resolution cutoff used in constructing the Luzzati plot for reflections treated as a test set during refinement.

Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.

Optional Luzzati_d_res_low_obs

Luzzati_d_res_low_obs?: <internal>.Maybe<number>

The value of the low-resolution cutoff used in constructing the Luzzati plot for reflections classified as observed.

Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.

Optional Luzzati_sigma_a_free

Luzzati_sigma_a_free?: <internal>.Maybe<number>

The value of sigmaa used in constructing the Luzzati plot for the reflections treated as a test set during refinement. Details of the estimation of sigmaa can be specified in _refine_analyze.Luzzati_sigma_a_free_details.

Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.

Optional Luzzati_sigma_a_obs

Luzzati_sigma_a_obs?: <internal>.Maybe<number>

The value of sigmaa used in constructing the Luzzati plot for reflections classified as observed. Details of the estimation of sigmaa can be specified in _refine_analyze.Luzzati_sigma_a_obs_details.

Ref: Luzzati, V. (1952). Traitement statistique des erreurs dans la determination des structures cristallines. Acta Cryst. 5, 802-810.

Optional __typename

__typename?: "RefineAnalyze"

Optional number_disordered_residues

number_disordered_residues?: <internal>.Maybe<number>

The number of discretely disordered residues in the refined model.

Optional occupancy_sum_hydrogen

occupancy_sum_hydrogen?: <internal>.Maybe<number>

The sum of the occupancies of the hydrogen atoms in the refined model.

Optional occupancy_sum_non_hydrogen

occupancy_sum_non_hydrogen?: <internal>.Maybe<number>

The sum of the occupancies of the non-hydrogen atoms in the refined model.

Optional pdbx_Luzzati_d_res_high_obs

pdbx_Luzzati_d_res_high_obs?: <internal>.Maybe<number>

record the high resolution for calculating Luzzati statistics.

pdbx_refine_id

pdbx_refine_id: string

This data item uniquely identifies a refinement within an entry. _refine_analyze.pdbx_refine_id can be used to distinguish the results of joint refinements.

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