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negentropy decrease round trip array > mtz > array with gemmi #73

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alisiafadini opened this issue Nov 4, 2024 · 0 comments
Open

negentropy decrease round trip array > mtz > array with gemmi #73

alisiafadini opened this issue Nov 4, 2024 · 0 comments
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@tjlane @alisiafadini
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enhancement New feature or request question Further information is requested

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Round trip from numpy array > GEMMI mtz > numpy array introduces apparently random differences that decrease final array negentropy. Per-voxel differences can be as large as 0.01 for our benchmark 8a6g example.
@tjlane tjlane added enhancement New feature or request question Further information is requested labels Nov 5, 2024
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@tjlane @alisiafadini