reciprocalspaceship.read_precognition

reciprocalspaceship.read_precognition(hklfile, spacegroup=None, cell=None, logfile=None)[source]

Initialize attributes and populate the DataSet object with data from a precognition hkl or ii file of reflections. This is the output format used by Precognition when processing Laue diffraction data.

Parameters:

hklfile (str or file) – name of an hkl, si, or ii file or a file object
spacegroup (str or int) – If int, this should specify the space group number. If str, this should be a space group symbol
cell (tuple or list of floats) – Unit cell parameters
logfile (str or file) – name of a log file to parse to get cell parameters and spacegroup. Only used when spacegroup and/or cell are not explicitly provided.