COMCIFS / Powder_Dictionary

CIF definitions for powder diffraction
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_pd_meas.2theta_scan: unclear reference to the _pd_meas.2theta_angle data item #100

Open vaitkus opened 1 year ago

vaitkus commented 1 year ago

The description of the _pd_meas.2theta_scan data item contains the following sentence:

    _pd_meas.2theta_angle was originally a distinct but cognate definition and should not be
    used in new files.

However, I was unable to find any references to the _pd_meas.2theta_angle data item neither in the DDL1 nor in the DDLm versions of the dictionary. The closest existing names are _pd_meas_angle_2theta and _pd_meas_2theta_scan which are both already defined as aliases, but I am unsure if any of them apply here.

rowlesmr commented 1 year ago

Mayby a typo referring to this in cif_pd.dic?

data_pd_meas_angle_
    loop_ _name                '_pd_meas_angle_chi'
                               '_pd_meas_angle_omega'
                               '_pd_meas_angle_phi'
                               '_pd_meas_angle_2theta'
    _category                    pd_data
    _type                        numb
    _list                        both
    _enumeration_range           -180.0:360.0
    _definition
;              The diffractometer angles in degrees for an instrument with a
               Euler circle. The definitions for these angles follow the
               convention of International Tables for X-ray Crystallography
               (1974), Vol. IV, p. 276.
;