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Calibration and Integration

Daniel Savage edited this page Jun 16, 2023 · 7 revisions

These calibration and integration tutorials will focus on x-ray diffraction. Rietveld of time-of-flight neutron diffraction in MAUD utilizes the GSAS diffractometer files, and calibration procedures and function definitions can be found elsewhere e.g. gsas_manual.pdf.

The toolset which is installed with MILK is the pyFAI package produced out of ESRF and has a fantastic readthedocs page. From the pyFAI package are a number of command line and python based integration and helper tools which are very powerful in realtime workflows. In addition, there are well developed integration algorithms that take advantage of GPU and CPU resources through OPENCL and e.g. memory on chip architectures such as apple silicon. The pyFAI package utilizes other silx-kit packages such as fabIO for detector image format support; allowing a wide range of special binary detector, HDF, and TIFF with metadata formats to be natively supported. FabIO also provides some custom binary file tools to address non-standard ge formats such as for the 1ID Hydra ge detectors.

The tutorials address one detector and multi detector integration and getting the data into MAUD using milk command line tools. You can also copy the code for the command line tools and make pure python implementations if you don't have a bash environment or prefer python. To reduce file size for the tutorials, we will provide summed and corrected tiff images for calibration from a CeO2 standard.

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