(IUCr) Search

search
search IUCr web Crystallography Journals Online		Other search pages Crystallography Journals Online - advanced search World Directory of Crystallographers

Results for cif 1411 to 1425 of 3458 results.
Page: 1 90 91 92 93 94 95 96 97 98 99 231 Previous 15 Next 15

Irefine_ls_restrained_S_all.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_restrained_S_all Name: '_refine_ls_restrained_S_all' Definition: The least-squares goodness-of-fit parameter S' for all reflections after the final cycle of least-squares refinement. This parameter explicitly includes the restraints applied in the least-squares process. See also ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_restrained_S_all.html

Irefine_ls_R_I_factor.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_R_I_factor Name: '_refine_ls_R_I_factor' Definition: Residual factor R(I) for significantly intense reflections (satisfying _reflns_threshold_expression) and included in the refinement. This is most often calculated in Rietveld refinements against powder data, where it is referred to ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_R_I_factor.html

Irefine_ls_R_Fsqd_factor.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_R_Fsqd_factor Name: '_refine_ls_R_Fsqd_factor' Definition: Residual factor R(Fsqd), calculated on the squared amplitudes of the observed and calculated structure factors, for significantly intense reflections (satisfying _reflns_threshold_expression) and included in the refinement. The reflections also satisfy ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_R_Fsqd_factor.html

Irefine_ls_R_factor_obs.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_R_factor_obs Name: '_refine_ls_R_factor_obs' This definition has been superseded and is retained here only for archival purposes. Use instead '_refine_ls_R_factor_gt' Definition: Residual factor for the reflections classified as 'observed' (see _reflns_observed_criterion) and ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_R_factor_obs.html

Irefine_ls_R_factor_gt.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_R_factor_gt Name: '_refine_ls_R_factor_gt' Definition: Residual factor for the reflections (with number given by _reflns_number_gt) judged significantly intense (i.e. satisfying the threshold specified by _reflns_threshold_expression) and included in the refinement. The reflections also satisfy ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_R_factor_gt.html

Irefine_ls_R_factor_all.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_R_factor_all Name: '_refine_ls_R_factor_all' Definition: Residual factor for all reflections satisfying the resolution limits established by _refine_ls_d_res_high and _refine_ls_d_res_low. This is the conventional R factor. See also _refine_ls_wR ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_R_factor_all.html

Irefine_ls_number_restraints.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_number_restraints Name: '_refine_ls_number_restraints' Definition: 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. ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_number_restraints.html

Irefine_ls_number_reflns.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_number_reflns Name: '_refine_ls_number_reflns' Definition: The number of unique reflections contributing to the least-squares refinement calculation. The permitted range is 0 -> infinity Type: numb Category: refine...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_number_reflns.html

Irefine_ls_number_parameters.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_number_parameters Name: '_refine_ls_number_parameters' Definition: 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 ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_number_parameters.html

Irefine_ls_number_constraints.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_number_constraints Name: '_refine_ls_number_constraints' Definition: The number of constrained (non-refined or dependent) parameters in the least-squares process. These may be due to symmetry or any other constraint process (e.g. rigid-body refinement). See also _atom_site_constraints ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_number_constraints.html

Irefine_ls_matrix_type.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_matrix_type Name: '_refine_ls_matrix_type' Definition: Type of matrix used to accumulate the least-squares derivatives. The data value must be one of the following: full full fullcycle full with fixed elements per cycle atomblock block diagonal per atom userblock user ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_matrix_type.html

Irefine_ls_goodness_of_fit_ref.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_goodness_of_fit_ref Name: '_refine_ls_goodness_of_fit_ref' Definition: The least-squares goodness-of-fit parameter S for all reflections included in the refinement after the final cycle of refinement. Ideally, account should be taken of parameters restrained in the ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_goodness_of_fit_ref.html

Irefine_ls_goodness_of_fit_obs.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_goodness_of_fit_obs Name: '_refine_ls_goodness_of_fit_obs' This definition has been superseded and is retained here only for archival purposes. Use instead '_refine_ls_goodness_of_fit_gt' Definition: The least-squares goodness-of-fit parameter S for observed ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_goodness_of_fit_obs.html

Irefine_ls_goodness_of_fit_gt.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_goodness_of_fit_gt Name: '_refine_ls_goodness_of_fit_gt' Definition: The least-squares goodness-of-fit parameter S for significantly intense reflections (see _reflns_threshold_expression) after the final cycle of refinement. Ideally, account should be taken of parameters restrained in ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_goodness_of_fit_gt.html

Irefine_ls_goodness_of_fit_all.html: Index Core dictionary (coreCIF) version 2.4.5 _refine_ls_goodness_of_fit_all Name: '_refine_ls_goodness_of_fit_all' Definition: The least-squares goodness-of-fit parameter S for all reflections after the final cycle of refinement. Ideally, account should be taken of parameters restrained in the least-squares refinement. See ... ...

Document Title: CIF dictionaries
Document Path: /__data/iucr/cifdic_html/1/cif_core.dic/Irefine_ls_goodness_of_fit_all.html

Search