This is a python package for processing x-ray scattering data. It was first developed at the X9 beamline at NSLS. Since then, it has been revised multiple times and is now being used at the LiX beamline at NSLS-II. Compared to the previous versions, the major changes in this version are:
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Revision of the conversion between detector images and the corresponding intensity maps, with coordinates of qr-qz, q-phi, or just q. The conversions are now realized using histograms.
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2D plot of the data has been improved, with enhanced features to annotate the scattering intensity.
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Added examples to illustrate the use of this module in various x-ray scattering measurements.
Changes since initial release on pyPI
2016-10-15: minor bug fix in MatrixWithCoords.roi().
2016-10-20: include geometric corrections in solution scattering
2017: bug fixes related to corrections applied to solution scattering data
2018-01: minor changes in Data2d.conv_Iqphi()
2018-02: changes in Data2d and Data1d to prepare for hdf5 support
2018-07: fixed a bug that caused uneven bins in Data2d.conv_Iq(); first version of hdf5 support
2018-09:
improved functionality and bug fixes for hdf support;
bug fix for slnxs;
fix azimuthal angular range to avoid large gap between values near Pi/-Pi;
attach exp_para to hdf;
removing qgrid from DetectorConfig (this affects the syntax of process/average/merge in slnxs);
2018-10: bugfixes, slnxs and hdf; handling of transmitted beam intensity; first attempt to support scanning data
2018-11: slnxs bug fix; moved some functions from h5sol_HT to h5xs;
2019-02: uniform creation of data2d from either a filename or a numpy array; h5exp for storing experimental configuration (no data); export x-ray scattering chromatogram;
2019-03: add SVD background subtraction to h5sol_HPLC; return calculated chromtogram as data;
2019-04: delete existing "processed" data group when the length of qgrid changes; add mask items from code rather than from a file; error bar calculation in Data1d.avg();
2019-05: added notebooks.py to define data processing notebook GUIs;
2019-09: meta data footer in exported 1D scattering profile;
2019-10: functions in h5sol_HT to compare samples and change buffer;
2019-11: fixed bug in bin_subtracted_frames(); added ATSAS report to HPLC GUI; handles em as monitor for transmission intensity; create new h5 file with links to multiple files; update display_data_h5xs();
2020-01: fixed tick lables in HPLC 2D plot;
2020-02: refined conv_Iq() to improve accuracy; functions to help generate mask from the data; h5xs.load_data() now work for scattering data store in 2D arrays;
2020-03: implemented cormap-equivalent pair-wise comparison; added check_bm_center() function in hdf;
2020-04: added estimate_scaling_factor() for buffer subtraction; assume default flow rate with older HPLC data; revised ATSAS support functions; paralellized modelling using Dask;
2020-05: revised h5xs.check_bm_center(); added h5exp.recalibrate(); incorporate estimate_scaling_dactor() into h5solHT.process();
2020-12: revised handling of transField in h5xs; revised h5xs.load_data(); added h5xs.show_data_qxy() and show_data_qphi();
2021-01: revised 2d data plotting; possible to display arbitrary reference rings; use pyFAI-calib2 for h5exp.recalibrate();
2021-02: new methods under h5xs: get_d1(), verify_frn(); corrected data sequence in h5xs.d1s;
2021-05: allow Data1d to have both trans_w (water) and trans_e (external); the attribute trans is set based on the transMode; added h5xs.header(), revised h5xs.set_trans();
2021-08: possibility to correct for flat field; deal with transmission values in solution scattering data in the monitor stream; option to impose dtype on Data2d;
2021-10: revised h5xs.set_trans() to better handle solution scattering normalization;
2022-01: cleaning up after work on lixtools.scanning
2022-04: bug fixes in MatrixWithCorrds; reorganizing h5xs
2022-11: open h5 file only when necessary
2023-03: similarity calculation for Data1d; handling of intensity monitor data h5xs.exp_time()
2023-06: save h5xs.d0s under processed/attrs add/remove external links
2024-04: automated mask generation; export blank-subtracted data to NXcanSAS