Add mdx2.to_mtz command for NeXus to MTZ conversion#20
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jmholton wants to merge 2 commits intoando-lab:mainfrom
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Add mdx2.to_mtz command for NeXus to MTZ conversion#20jmholton wants to merge 2 commits intoando-lab:mainfrom
jmholton wants to merge 2 commits intoando-lab:mainfrom
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Converts merged HKL data from mdx2 NeXus format to MTZ, handling sub-integer diffuse scattering grids (ndiv > 1) by scaling H, K, L by ndiv and writing the corresponding super-cell into the MTZ header. Includes IMEAN/SIGIMEAN and half-dataset columns when present. Co-Authored-By: Claude Sonnet 4.6 <[email protected]>
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Converts merged HKL data from mdx2 NeXus format to MTZ, handling sub-integer diffuse scattering grids (ndiv > 1) by scaling H, K, L by ndiv and writing the corresponding super-cell into the MTZ header. Includes IMEAN/SIGIMEAN and half-dataset columns when present.