load_pattern(filename, pat, **kwargs)

Load a diffraction pattern from a file.

Parameters:

• filename (str) – full path of the file.

• kwargs – optional arguments.

• kwargs['mode'] (str) – format specifier: ‘CIF’ | ‘DMC’ |’D1A’ | ‘D1AOLD’ | ‘D1B’ | ‘D2B’ | ‘D2BOLD’ | ‘D20’ | ‘GSAS’ | ‘GSASTOF’ | ‘G41’ | ‘G42’ | ‘HRPT’ | ‘PANALYTICAL’ | ‘NLS’ | ‘SOCABIM’ | ‘TIMEVARIABLE’ | ‘XYSIGMA’ | ‘3T2’.

• kwargs['sig'] (bool) – if False, sigma of pattern will be the standard deviation. Otherwise, sigma of pattern will be the variance.

• kwargs['header'] (str) – a header for the diffraction pattern

Returns:

diffraction pattern.

Return type:

dict (diffpat_type)

>>> from pycrysfml import cfml_diffpatt
>>> pat = cfml_diffpatt.load_pattern("pbso4.dat",mode="d1a")
>>> for k in pat:
...   print(f'{k :>16}: {pat[k]}')
...
           title:  PbSO4 D1A(ILL)(Rietveld Refinement Round Robin, R.J. Hill, JApC 25, 589 (1992)
         kindrad:
         scatvar:
            xmin: 10.0
            xmax: 155.4499969482422
            ymin: 176.0
            ymax: 2459.0
            step: 0.0
            npts: 2910
          sigvar: True
            wave: [0. 0. 0. 0. 0.]
               x: [10.   10.05 10.1  ...  0.    0.    0.  ]
               y: [220. 214. 219. ...   0.   0.   0.]
           sigma: [220. 214. 219. ...   0.   0.   0.]
           instr: D1A
        filename:
        filepath:
            scal: 1.0
         monitor: 10000.0
        norm_mon: 0.0
        col_time: 0.0
         tsample: 298.0
            tset: 0.0
           ycalc: [0. 0. 0. ... 0. 0. 0.]
             bgr: [0. 0. 0. ... 0. 0. 0.]