ess.nmx.mtz_io#

Module Attributes

`MTZFileIndex`	The index of the mtz file when iterating over multiple mtz files.
`MTZFilePath`	Path to the mtz file
`SpaceGroupDesc`	The space group description.
`DEFAULT_SPACE_GROUP_DESC`	The default space group description to use if not found in the mtz files.
`WavelengthColumnName`	The name of the wavelength column in the mtz file.
`IntensityColumnName`	The name of the intensity column in the mtz file.
`StdDevColumnName`	The name of the standard uncertainty of intensity column in the mtz file.
`MtzDataFrame`	The raw mtz dataframe.
`NMXMtzDataFrame`	The processed mtz dataframe with derived columns.
`providers`	The providers related to the MTZ IO.
`default_parameters`	The parameters related to the MTZ IO.

Functions

`get_reciprocal_asu`(spacegroup)	Returns the reciprocal asymmetric unit from the space group.
`get_space_group_from_description`(desc)	Retrieves spacegroup from parameter.
`get_space_group_from_mtz`(mtz)	Retrieves spacegroup from file.
`get_unique_space_group`(*spacegroups)	Retrieves the unique space group from multiple space groups.
`merge_mtz_dataframes`(*mtz_dfs)	Merge multiple mtz dataframes into one.
`mtz_to_pandas`(mtz)	Converts the mtz file to a pandas dataframe.
`nmx_mtz_dataframe_to_scipp_dataarray`(nmx_mtz_df)	Converts the processed mtz dataframe to a scipp dataarray.
`process_mtz_dataframe`(*, mtz_df, ...)	Modify/Add columns of the shallow copy of a mtz dataframe.
`process_single_mtz_to_dataframe`(mtz[, ...])	Select and derive columns from the original `MtzDataFrame`.
`read_mtz_file`(file_path)	read mtz file