Dear Mohamed What I would do is to index with the whole set then process the first 1200 frames with one DATA_RANGE= command and the last 200 in a different directory with a different DATA_RANGE= command (but otherwise similar script) and then combine the two sets with XSCALE.
There may be more efficient ways to do this but this is what I would do best wishes Graeme -----Original Message----- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Mohamed Noor Sent: 21 January 2016 00:47 To: ccp4bb Subject: [ccp4bb] Excluding frames in XDS Dear all I have a 180-degree dataset (1800 frames) collected at peak wavelength for Fe (for an MR-SAD structure solution). While analyzing the XDS_ASCII.HKL file with Aimless, I noticed something went wrong with a few frames around 1400-1600 (the Rmerge vs. batch plot is attached). When I processed only the first 1200 frames, Aimless indicated a significant anomalous signal up to 3.5 A whereas with the whole dataset (1800 frames), it was only about 7 A. I am trying to process the first 1200 or so images and the last 200 with XDS. How can I achieve this when XDS accepts only one DATA_RANGE line? As this was the only crystal diffracted, I am trying to squeeze as much as I can out of what I have. The point group is either P 6 or P 6 2 2, not entirely sure yet. Thanks. Mohamed -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom
