ccpem / ccpem/mrcfile

mx,my and mz potentially being set wrong

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Python
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Description

For entries with non x,y,z axis ordering e.g. z,y,x running update_header_from_data sets mx equal to nx, my equal to ny etc.

However mx is declared as sampling along X axis of unit cell not in terms of columns like nx.
My interpretation of the spec is that this should set nx == mz when z is the col axis.
Am I misinterpreting the mrc specification or is this an issue with not taking axis ordering into account in mrcfile?

Example entry EMD-30289's primary map.

Regards
Ryan

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Research direction

Start by reading update_header_from_data and compare its nx, ny, nz handling with the MRC2014 axis-order specification. Use EMD-30289 as the concrete non-x,y,z example; done means determining whether mx, my, and mz must follow physical axes rather than column order and documenting or correcting the behavior accordingly.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
data
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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