Some items are no longer permited s.u. values compared to the DDL1 dictionary #22
Description
The following items were allowed to have s.u. values in the DDL1 dictionary, but not in the DDLm dictionary:
_restr_angle_diff
_restr_distance_diff
_restr_equal_angle_class_diff_max
_restr_equal_distance_class_diff_max
_restr_equal_torsion_class_diff_max
_restr_plane_displacement
_restr_plane_class_displacement_max
_restr_torsion_diff
_restr_u_rigid_diff
Some of the category loop examples in the DDL1 dictionary (not present in DDLm) even explicitly provide values with s.u. in parentheses:
loop_
_restr_plane_id
_restr_plane_atom_site_label
_restr_plane_site_symmetry
_restr_plane_class_id
_restr_plane_target_weight_param
_restr_plane_displacement
_restr_plane_details
1 c1 1_555 1 0.02 0.002(1) 'c1 to c4 lie on one plane'
2 c2 1_555 1 0.02 -0.003(2) ?
3 c3 1_555 1 0.02 -0.002(1) ?
4 c4 1_555 1 0.02 0.002(2) ?
5 c1 2_655 2 0.003 0.004(1) 'c1, c5, c6 and c7 lie on one plane'
6 c5 1_555 2 0.003 -0.002(2) ?
7 c6 1_555 2 0.003 0.002(3) ?
8 c7 1_555 2 0.003 -0.002(2) ?
In this specific case, I guess that the s.u. was allowed for _restr_plane_displacement since the atom coordinates themselves had s.u.
Should these values be allowed in the DDLm dictionary as well?