possible typos in cifdic.m95 0.7.28
herbert_bernstein (yaya@aip.org)
Sun, 3 Dec 95 22:46:49 EST
The following list was obtained by running a version of cyclops on
cifdic.m95, version 0.7.28, and then hand editing to remove the
data items which clearly were not typos. What remains are data
items and line numbers which _may_ be typos. Some of these
were reported earlier by others and some of them may already have
been corrected in the version Paula is working on, but it seemed
prudent to give a few too many, rather than too few.
-- H. J. Bernstein
Hand edit from:
CYCLOPS Check List
of cifdic.m95, 0.7.28
Data names NOT in Dictionary Line Numbers
_atom_sites.cartn_tran_matrix 3358 30799
*** suggest _atom_sites.cartn_transf_matrix
_chem_comp.nstd_class 6016
*** suggest _chem_comp.mon_nstd_class
_chem_link_bond.value_angle 7973
*** seems to be missing definition
_chem_link_bond.value_angle_esd 7974
*** seems to be missing definition
_chemical_formula.appendix 9424
*** perhaps _chemical_formula ????
_comp.prog.version 10113
*** perhaps _comp_prog.version
_comp.prog.citation_id 10114
*** perhaps _comp_prog.citation_id
_computing.phasing_mir 10207 19360
*** can't find this one
_database.code_pdb 10377
*** can't find this one
_diffrn.attenuator_code 12664
*** perhaps _diffrn_attenuator.code ???
_entity.name_com.name 14099
*** suggest _entity_name_com.name
_exptl.crystal_preparation 15360
*** perhaps _exptl_crystal.preparation
_exptl_crystal.face_ 15559
*** perhaps _exptl_crystal_face
_geom_bond.distance 17021 30966
*** perhaps _geom_bond.dist
_computing.phasing_averaging 18513
*** could not find this one
_computing.phasing_mad 18676
*** could not find this one
_refine.ls_d_res_high 22623 22639 22660 22703 22734
22767 22995 23029 23065
*** could not find this one
_refine.ls_d_res_low 22623 22639 22660 22704 22735
22768 22996 23030 23066
*** could not find this one
_refine.ls_number_reflns 22820 22869
*** perhaps _refine.ls_number_reflns_obs
_refine_ls_shell.reflns 23453 30739
*** perhaps _refine_ls_shell.number_reflns_obs
_refine.d_res_high 24333 24338 24344 24347
*** can't find this one
_refine.d_res_low 24334 24339 24345 24348
*** can't find this one
_reflns_scale_group.code 24405
*** perhaps _reflns_scale.group_code
_computing.save_reduction 24612
*** can't find this one
_reflns_shell.possible_%_obs 24987
*** perhaps _reflns_shell.percent_possible_obs
_struct_site_view_details 25813 25832 25851 25870 25889
25908 25927 25946 25965
*** perhaps _struct_site_view
_struct_mon.details_rscc 27214 27245 27276 27307 27630
27661 27692
*** perhaps _struct_mon_details.RSCC
_struct_mon.details_rsr 27336 27365 27394 27423 27721
27749 27777
*** perhaps _struct_mon_details.RSR
_struct_sheet.number_details 28429 28459
*** perhaps _struct_sheet.details
_struct_sheet_range.beg_symmetry 28889 28914
*** perhaps _struct_sheet_range.symmetry
_struct_sheet_range.end_symmetry 28893 28918
*** perhaps _struct_sheet_range.symmetry
_symmetry.equiv_pos_as_xyz 29823
*** perhaps _symmetry_equiv.pos_as_xyz