ample.util.mtz_util module¶

MTZ utility functions

add_rfree(file_name, directory=None, overwrite=True)[source]¶

Run uniqueify on mtz file to generate RFREE data column

del_column(file_name, column, overwrite=True)[source]¶

Delete a column from an mtz file and return a path to the file

get_labels(file_name)[source]¶

Return the F, SIGF and FREE column labels

get_rfree(file_name)[source]¶

Return the Rfree label

max_min_resolution(file_name)[source]¶

processReflectionFile(amoptd)[source]¶

Make sure we have a valid mtz file. If necessary convert a given cif file. Set the mtz variable in the given amoptd to the reflection file to use Return True if it all worked or raise an exception if it failed

to_hkl(mtz_file, hkl_file=None, directory=None, F=None, SIGF=None, FREE=None)[source]¶