WebCrystals will bring up an Fobs vs Fcalc plot. Read the information and select whether you wish to refine extinction based on this. In this case, extinction is not selected. Now optimise the weighting scheme. Thus continue on and select ... http://mill2.chem.ucl.ac.uk/tutorial/crystals/organic_refine.html

help/reflection_statistics.md at master · Olex2/help

WebThe output file contains Fobs and the total Fcalc, PhiCalc, scaled either to Fobs or to one of the Fc’s (see FIX command). Thus if FC1 is the contribution from atoms, scaling to … WebCrystals will bring up an Fobs vs Fcalc plot. Read the information and select whether you wish to refine extinction based on this. In this case, extinction is not selected. incendiary comments meaning

EDSTATS — CCP4Docs documentation

WebComparing Fcalc and Fobs. Contribute to Taimin/Fcalc_Fobs_plot development by creating an account on GitHub. WebCheck Fobs/Fcalc. Should be a straight line. If it is flattening out at the top it means it was overexposed. Trying applying extinction to address this. Check the Normal Probability graph. Reflections not nicely on the line can be omitted. Check where they were in the Fobs vs Fcalc, and see if the Fobs vs Fcalc is closer to being a straight line. WebThis is a typical command to simulate Fobs. phenix.fmodel model.pdb high_res=1.5 scattering_table=neutron will result in a file containing complete set of Fmodel = Fcalc computed from atomic model up to 1.5A resolution using neutron scattering table. phenix.fmodel model.pdb parameters.txt inco terms fot