phenix.xtriage will reindex data to a common reference set. scaling.input.xray_data.reference.data.file_name F On Apr 25, 2012, at 9:20 AM, jens j birktoft wrote:

Hi Everybody,

Is there a protocol for re-scaling several sets of diffraction data against a common reference set, either native or based on a Fcalc set computed from a common input model. The are from a number of derivatives, are all isomorphus, and are anomalous data . We want to compare the relative peak heights in Fo-Fc and Anom. difference maps

Cheers

Jens

+++++++++++++++++++++++++++++++++++++++++++++++++++ Jens J. Birktoft e-mail: birktoft @ nyu.edu ; Phone: 212-749-5057 +++++++++++++++++++++++++++++++++++++++++++++++++++ _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

Hi Jens, Not exactly..but you can put in your native and a "derivative" in an MIR script and it will scale the derivative to your "native" and write out mir_fbar.mtz in the TEMP0/ directory (you can just stop the job as soon as it has done scaling). This will apply solve local scaling. All the best Tom T autosol { quick = True seq_file = seq.dat native { data = native.sca } deriv { data = pt.sca lambda = 1.4 atom_type = Pt } deriv { data = ki.sca lambda = 1.5 atom_type = I } } ________________________________ From: [email protected] [[email protected]] on behalf of jens j birktoft [[email protected]] Sent: Wednesday, April 25, 2012 9:20 AM To: PHENIX user mailing list Subject: Re: [phenixbb] Scaling of diffraction data Hi Everybody, Is there a protocol for re-scaling several sets of diffraction data against a common reference set, either native or based on a Fcalc set computed from a common input model. The are from a number of derivatives, are all isomorphus, and are anomalous data . We want to compare the relative peak heights in Fo-Fc and Anom. difference maps Cheers Jens +++++++++++++++++++++++++++++++++++++++++++++++++++ Jens J. Birktoft e-mail: birktoft @ nyu.edu mailto:[email protected] ; Phone: 212-749-5057tel:212-749-5057 +++++++++++++++++++++++++++++++++++++++++++++++++++