Hi Kai,
You can use reciprocalspaceship to make a little python script or notebook to
easily do stuff like this. For your case, try a script like:
```
import pandas as pd
import reciprocalspaceship as rs
merged = rs.read_mtz("merged.mtz")
unmerged = rs.read_mtz("unmerged.mtz")
keep = pd.MultiIndex.from_arrays(merged.copy().hkl_to_asu().get_hkls().T)
obs = pd.MultiIndex.from_arrays(unmerged.copy().hkl_to_asu().get_hkls().T)
cut = unmerged[obs.isin(keep)].copy()
cut.cell, cut.spacegroup, cut.merged = unmerged.cell, unmerged.spacegroup, False
cut.write_mtz("unmerged_elliptical.mtz")
```
You may need to modify for your needs. Claude, GPT, etc can help a lot in this
situation, they should be able to do the job for ya!
If you decide to take that route and need more help you can probably get to us
more quickly by writing at https://discourse.rs-station.org/
Good luck / have fun!
TJ
########################################################################
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list
hosted by www.jiscmail.ac.uk, terms & conditions are available at
https://www.jiscmail.ac.uk/policyandsecurity/