Nothing to get worried about. It means that other, equally valid choices of axes may be possible (e.g. with polar space groups). Only if you want to merge data from different crystals or if you want to scale native and derivative data, you have to make sure that the same choice of axes is being made for all crystals. If you provide XDS with a reference data set, XDS will figure this out for you.

Best,

Herman

Von: CCP4 bulletin board [mailto:[log in to unmask]] Im Auftrag von Yamei Yu
Gesendet: Montag, 30. Juni 2014 09:33
An: [log in to unmask]
Betreff: [ccp4bb] a warning message from XDS (IDXREF)

Hi all,

I use XDS to process a data set. When I checked the log files I found a warning message at the end of IDXREF (as below). What should I do next? How to judge which solution is correct?

!!! WARNING !!! SOLUTION MAY NOT BE UNIQUE.

OTHER POSSIBLE SOLUTIONS CAN BE TRIED IN THE "CORRECT" STEP

BY SPECIFYING ALTERNATIVE SETS OF UNIT CELL BASIS VECTORS:

UNIT_CELL_A-AXIS= -25.024 -66.429 -28.634

UNIT_CELL_B-AXIS= 20.919 22.359 -70.153

UNIT_CELL_C-AXIS= 157.798 -70.095 24.714

Thanks so much!

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Yamei Yu