Ignore:
Timestamp:
Aug 16, 2013 12:30:54 PM (9 years ago)
Author:
vondreele
Message:

more work on residuals & cif files

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/Exercises/single crystal/IB3.cif

    r1037 r1038  
    11data_Ib3
    2 _pd_block_id  2013-08-15T12:35|Ib3|VonDreeleRobert|CAD-4
     2_pd_block_id  2013-08-16T12:28|Ib3|VonDreeleRobert|CAD-4
    33_audit_creation_method  "created in GSAS-II"
    4 _audit_creation_date  2013-08-15T12:35
     4_audit_creation_date  2013-08-16T12:28
    55_audit_author_name  "Von Dreele, Robert"
    66_audit_update_record
    7    "2013-08-15T12:35  Initial software-generated CIF"
    8 _pd_proc_info_datetime  2013-08-15T12:35
     7   "2013-08-16T12:28  Initial software-generated CIF"
     8_pd_proc_info_datetime  2013-08-16T12:28
    99_pd_calc_method  "Rietveld Refinement"
    1010_computing_structure_refinement  "GSAS-II (Toby & Von Dreele, 2013)"
    1111_refine_ls_number_parameters  10
    1212_refine_ls_goodness_of_fit_all  41.912
     13
     14# OVERALL WEIGHTED R-FACTOR
     15_refine_ls_wR_factor_obs  0.07258
    1316_refine_ls_matrix_type  full
    1417
     
    525528_reflns_limit_l_min  0
    526529_reflns_limit_l_max  11
    527 _reflns_d_resolution_low  5.0700
    528 _reflns_d_resolution_high  0.619
     530_reflns_d_resolution_low    5.070
     531_reflns_d_resolution_high   0.619
     532_reflns_wR_factor_obs      0.0726
     533_reflns_R_F_factor_obs     0.0822
     534_reflns_R_Fsqd_factor_obs  0.0694
    529535#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
Note: See TracChangeset for help on using the changeset viewer.