Dear Murpholino, in addition to Graeme's explanation w.r.t. XDS, you probably want to also set the 'STARTING_ANGLE= 90', when you copy UNIT_CELL_A-AXIS= UNIT_CELL_B-AXIS= UNIT_CELL_C-AXIS= from XDS_ASCII.HKL of the first data set into XDS.INP of the second one.
Depending on the spacegroup and cell axes, just REFERENCE_DATA_SET= together with SPACE_GROUP_NUMBER= and UNIT_CELL_CONSTANTS= might be sufficient. As a thrid option, you can treat it as one data set and make use of EXCLUDE_DATA_RANGE= 46 89 and integrate the data as a single data set. The latter is probably the most fool proof approach, as long as the file names for B are numbered 90 to 135. Best wishes, Tim for the second data set On Wed, 30 Jun 2021 18:57:03 -0500 Murpholino Peligro <[email protected]> wrote: > Hi... > I have a couple of datasets: > A: From 0 to 45 > B: From 90 to 135 > > Can I process them as a unique data set? (with XDS or maybe Mosflm) or > should I process them apart and then merge them? > > > Thanks > > ######################################################################## > > 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/ -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## 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/
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