Scott, Try adding: refinement.input.xray_data.labels="F-obs,SIGF-obs" to the command line. Other alternatives would be to edit the .def file, or create a stripped down version of that using: phenix.refine mymodel-refine_002.def --diff-params > mystart.def and edit as necessary. Phil Jeffrey Princeton Scott Classen wrote:
Hi All,
I have an mtz file that has:
I-obs SIGI-obs F-obs SIGF-obs
I want phenix.refine to use F-obs and SIGF-obs, but even though I provide : labels = "F-obs,SIGF-obs"
I think phenix.refine is seeing the I-obs,SIGI-obs and recalculating the structure factors from those values instead of using the Fs that I provide in the mtz.
Is this the case? Other than stripping the I-obs,SIGI-obs from the input mtz, is there a way to force phenix to use my structure factors?
Thanks, Scott
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Scott Classen, Ph.D. SIBYLS Beamline 12.3.1 http://bl1231.als.lbl.gov Advanced Light Source Lawrence Berkeley National Laboratory 1 Cyclotron Rd MS6R2100 Berkeley, CA 94720 C) 510.206.4418 O) 510.495.2697 Beamline) 510.495.2134 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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