reciprocalspaceship.read_mtz

reciprocalspaceship.read_mtz(mtzfile)[source]

Populate the dataset object with data from an MTZ reflection file.

If the gemmi.Mtz object contains an M/ISYM column and contains duplicated Miller indices, an unmerged DataSet will be constructed. The Miller indices will be mapped to their observed values, and a partiality flag will be extracted and stored as a boolean column with the label, PARTIAL. Otherwise, a merged DataSet will be constructed.

If columns are found with the MTZInt dtype and are labeled PARTIAL or CENTRIC, these will be interpreted as boolean flags used to label partial or centric reflections, respectively.

Parameters:: mtzfile (str or file) – name of an mtz file or a file object
Returns:: DataSet