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The reflections also satisfy the resolution limits\nspecified by _refine_ls.d_res_high and _refine_ls.d_res_low.\n\n                     sum | F(meas_gt)^2^ - F(calc)^2^ |\n          R(Fsqd) = ------------------------------------\n                             sum F(meas_gt)^2^\n\n          F(meas_gt)^2^ = squares of the 'observed' structure-factor\n          F(calc)^2^    = squares of the calculated structure-factor\n          and the sum is taken over the specified reflections"],"obsolete":false,"matchType":"prefLabel","ontologyType":"ONTOLOGY","@id":"http://emmo.info/domain-crystallography/cif_core#_refine_ls_R_Fsqd_factor","@type":"http://www.w3.org/2002/07/owl#Class","links":{"self":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor","ontology":"https://data.stage.matportal.org/ontologies/CIF","children":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/children","parents":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/parents","descendants":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/descendants","ancestors":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/ancestors","instances":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/instances","tree":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/tree","notes":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/notes","mappings":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor/mappings","ui":"http://bioportal.bioontology.org/ontologies/CIF?p=classes&conceptid=http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_Fsqd_factor","@context":{"self":"http://www.w3.org/2002/07/owl#Class","ontology":"http://data.bioontology.org/metadata/Ontology","children":"http://www.w3.org/2002/07/owl#Class","parents":"http://www.w3.org/2002/07/owl#Class","descendants":"http://www.w3.org/2002/07/owl#Class","ancestors":"http://www.w3.org/2002/07/owl#Class","instances":"http://data.bioontology.org/metadata/Instance","tree":"http://www.w3.org/2002/07/owl#Class","notes":"http://data.bioontology.org/metadata/Note","mappings":"http://data.bioontology.org/metadata/Mapping","ui":"http://www.w3.org/2002/07/owl#Class"}},"@context":{"@vocab":"http://data.bioontology.org/metadata/","prefLabel":"http://www.w3.org/2004/02/skos/core#prefLabel","synonym":"http://www.w3.org/2004/02/skos/core#altLabel","definition":"http://www.w3.org/2004/02/skos/core#definition","obsolete":"http://www.w3.org/2002/07/owl#deprecated","@language":"en"}},{"prefLabel":"refine_ls.R_I_factor","synonym":["_refine.ls_R_I_factor_obs","_refine_ls_R_I_factor","refine_ls_R_I_factor"],"definition":["\nResidual factor R(I) for significantly intense reflections (satisfying\n_reflns.threshold_expression) and included in the refinement. This is\nmost often calculated in Rietveld refinements of powder data, where it\nis referred to as R~B~ or R~Bragg~.\n\n                  sum | I(meas_gt) - I(calc) |\n          R(I) =  -----------------------------\n                         sum | I(meas_gt) |\n\n          I(meas_gt) = the net 'observed' intensities\n          I(calc)    = the net calculated intensities\n          and the sum is taken over the specified reflections"],"obsolete":false,"matchType":"prefLabel","ontologyType":"ONTOLOGY","@id":"http://emmo.info/domain-crystallography/cif_core#_refine_ls_R_I_factor","@type":"http://www.w3.org/2002/07/owl#Class","links":{"self":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor","ontology":"https://data.stage.matportal.org/ontologies/CIF","children":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/children","parents":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/parents","descendants":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/descendants","ancestors":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/ancestors","instances":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/instances","tree":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/tree","notes":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/notes","mappings":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor/mappings","ui":"http://bioportal.bioontology.org/ontologies/CIF?p=classes&conceptid=http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_I_factor","@context":{"self":"http://www.w3.org/2002/07/owl#Class","ontology":"http://data.bioontology.org/metadata/Ontology","children":"http://www.w3.org/2002/07/owl#Class","parents":"http://www.w3.org/2002/07/owl#Class","descendants":"http://www.w3.org/2002/07/owl#Class","ancestors":"http://www.w3.org/2002/07/owl#Class","instances":"http://data.bioontology.org/metadata/Instance","tree":"http://www.w3.org/2002/07/owl#Class","notes":"http://data.bioontology.org/metadata/Note","mappings":"http://data.bioontology.org/metadata/Mapping","ui":"http://www.w3.org/2002/07/owl#Class"}},"@context":{"@vocab":"http://data.bioontology.org/metadata/","prefLabel":"http://www.w3.org/2004/02/skos/core#prefLabel","synonym":"http://www.w3.org/2004/02/skos/core#altLabel","definition":"http://www.w3.org/2004/02/skos/core#definition","obsolete":"http://www.w3.org/2002/07/owl#deprecated","@language":"en"}},{"prefLabel":"refine_ls.R_factor_all","synonym":["_refine.ls_R_factor_all","_refine_ls_R_factor_all","refine_ls_R_factor_all"],"definition":["\nResidual factor for all reflections satisfying the resolution limits\nspecified by _refine_ls.d_res_high and _refine_ls.d_res_low. This is\nthe conventional R factor. See also wR factor definitions.\n\n              sum | F(meas) - F(calc) |\n          R = ------------------------\n                    sum | F(meas) |\n\n          F(meas) = the measured structure-factor amplitudes\n          F(calc) = the calculated structure-factor amplitudes\n          and the sum is taken over the specified reflections"],"obsolete":false,"matchType":"prefLabel","ontologyType":"ONTOLOGY","@id":"http://emmo.info/domain-crystallography/cif_core#_refine_ls_R_factor_all","@type":"http://www.w3.org/2002/07/owl#Class","links":{"self":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all","ontology":"https://data.stage.matportal.org/ontologies/CIF","children":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/children","parents":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/parents","descendants":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/descendants","ancestors":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/ancestors","instances":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/instances","tree":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/tree","notes":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/notes","mappings":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all/mappings","ui":"http://bioportal.bioontology.org/ontologies/CIF?p=classes&conceptid=http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_all","@context":{"self":"http://www.w3.org/2002/07/owl#Class","ontology":"http://data.bioontology.org/metadata/Ontology","children":"http://www.w3.org/2002/07/owl#Class","parents":"http://www.w3.org/2002/07/owl#Class","descendants":"http://www.w3.org/2002/07/owl#Class","ancestors":"http://www.w3.org/2002/07/owl#Class","instances":"http://data.bioontology.org/metadata/Instance","tree":"http://www.w3.org/2002/07/owl#Class","notes":"http://data.bioontology.org/metadata/Note","mappings":"http://data.bioontology.org/metadata/Mapping","ui":"http://www.w3.org/2002/07/owl#Class"}},"@context":{"@vocab":"http://data.bioontology.org/metadata/","prefLabel":"http://www.w3.org/2004/02/skos/core#prefLabel","synonym":"http://www.w3.org/2004/02/skos/core#altLabel","definition":"http://www.w3.org/2004/02/skos/core#definition","obsolete":"http://www.w3.org/2002/07/owl#deprecated","@language":"en"}},{"prefLabel":"refine_ls.R_factor_gt","synonym":["_refine.ls_R_factor_gt","_refine.ls_R_factor_obs","_refine_ls_R_factor_gt","_refine_ls_R_factor_obs","refine_ls_R_factor_gt"],"definition":["\nResidual factor for the reflections judged significantly intense\n(see _reflns.number_gt and _reflns.threshold_expression) and included\nin the refinement. The reflections also satisfy the resolution limits\nspecified by _refine_ls.d_res_high and _refine_ls.d_res_low. This is\nthe conventional R factor.\n\n              sum | F(meas_gt) - F(calc) |\n          R = -----------------------------\n                    sum | F(meas_gt) |\n\n          F(meas_gt) = the 'observed' structure-factor amplitudes\n          F(calc)    = the calculated structure-factor amplitudes\n          and the sum is taken over the specified reflections"],"obsolete":false,"matchType":"prefLabel","ontologyType":"ONTOLOGY","@id":"http://emmo.info/domain-crystallography/cif_core#_refine_ls_R_factor_gt","@type":"http://www.w3.org/2002/07/owl#Class","links":{"self":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt","ontology":"https://data.stage.matportal.org/ontologies/CIF","children":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/children","parents":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/parents","descendants":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/descendants","ancestors":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/ancestors","instances":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/instances","tree":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/tree","notes":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/notes","mappings":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt/mappings","ui":"http://bioportal.bioontology.org/ontologies/CIF?p=classes&conceptid=http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_R_factor_gt","@context":{"self":"http://www.w3.org/2002/07/owl#Class","ontology":"http://data.bioontology.org/metadata/Ontology","children":"http://www.w3.org/2002/07/owl#Class","parents":"http://www.w3.org/2002/07/owl#Class","descendants":"http://www.w3.org/2002/07/owl#Class","ancestors":"http://www.w3.org/2002/07/owl#Class","instances":"http://data.bioontology.org/metadata/Instance","tree":"http://www.w3.org/2002/07/owl#Class","notes":"http://data.bioontology.org/metadata/Note","mappings":"http://data.bioontology.org/metadata/Mapping","ui":"http://www.w3.org/2002/07/owl#Class"}},"@context":{"@vocab":"http://data.bioontology.org/metadata/","prefLabel":"http://www.w3.org/2004/02/skos/core#prefLabel","synonym":"http://www.w3.org/2004/02/skos/core#altLabel","definition":"http://www.w3.org/2004/02/skos/core#definition","obsolete":"http://www.w3.org/2002/07/owl#deprecated","@language":"en"}},{"prefLabel":"refine_ls_TABLE","obsolete":false,"matchType":"prefLabel","ontologyType":"ONTOLOGY","@id":"http://emmo.info/domain-crystallography/cif_core#_refine_ls_TABLE","@type":"http://www.w3.org/2002/07/owl#Class","links":{"self":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE","ontology":"https://data.stage.matportal.org/ontologies/CIF","children":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/children","parents":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/parents","descendants":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/descendants","ancestors":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/ancestors","instances":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/instances","tree":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/tree","notes":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/notes","mappings":"https://data.stage.matportal.org/ontologies/CIF/classes/http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE/mappings","ui":"http://bioportal.bioontology.org/ontologies/CIF?p=classes&conceptid=http%3A%2F%2Femmo.info%2Fdomain-crystallography%2Fcif_core%23_refine_ls_TABLE","@context":{"self":"http://www.w3.org/2002/07/owl#Class","ontology":"http://data.bioontology.org/metadata/Ontology","children":"http://www.w3.org/2002/07/owl#Class","parents":"http://www.w3.org/2002/07/owl#Class","descendants":"http://www.w3.org/2002/07/owl#Class","ancestors":"http://www.w3.org/2002/07/owl#Class","instances":"http://data.bioontology.org/metadata/Instance","tree":"http://www.w3.org/2002/07/ow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The\n_enumeration.range of 0.0:1.0 is correctly interpreted as\nmeaning (0.0 - 3u) =< x =< (1.0 + 3u).\nRef: Flack, H. D. (1983). Acta Cryst. A39, 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The nature of the\nextinction coefficient is given in the definitions of\n_refine_ls.extinction_expression and _refine_ls.extinction_method.\nFor the 'Zachariasen' method it is the r* value; for the\n'Becker-Coppens type 1 isotropic' method it is the 'g' value.\nFor 'Becker-Coppens type 2 isotropic' corrections it is\nthe 'rho' value. Note that the magnitude of these values is\nusually of the order of 10000.\nRef:  Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30,\n      129-147, 148-153.\n      Zachariasen, W. H. (1967). Acta Cryst. 23, 558-564.\n      Larson, A. C. (1967). 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This description should\ninclude information about the correction method, either 'Becker-\nCoppens' or 'Zachariasen'. The latter is sometimes referred to as\nthe 'Larson' method even though it employs Zachariasen's formula.\n\nThe Becker-Coppens procedure is referred to as 'type 1' when\ncorrecting secondary extinction dominated by the mosaic spread;\nas 'type 2' when secondary extinction is dominated by particle\nsize and includes a primary extinction component; and as 'mixed'\nwhen there are types 1 and 2.\n\nFor the Becker-Coppens method it is also necessary to set the\nmosaic distribution as either 'Gaussian' or 'Lorentzian'; and the\nnature of the extinction as 'isotropic' or 'anisotropic'. Note\nthat if either the 'mixed' or 'anisotropic' corrections are applied\nthe multiple coefficients cannot be contained in the\n_refine_ls.extinction_coef and must be listed in _refine.special_details.\n\nRef:  Becker, P. J. & Coppens, P. (1974). Acta Cryst. 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Account should be\ntaken of restrained parameters.\n\n         {  sum { w [ Y(meas) - Y(calc) ]^2^ }  }^1/2^\n     S = { ------------------------------------ }\n         {            Nref - Nparam             }\n\n     Y(meas) = the measured coefficients\n               (see _refine_ls.structure_factor_coef)\n     Y(calc) = the calculated coefficients\n               (see _refine_ls.structure_factor_coef)\n     w       = the least-squares reflection weight\n               [1/(u^2^)]\n     u       = standard uncertainty\n     Nref   = the number of reflections used in the refinement\n     Nparam = the number of refined parameters\n     and the sum is taken over the specified 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