WebNote that the indices do not count as columns so if your file contains H K L Fobs Sigma, then Fobs is column 1. SFTOOLS can also read, write, and create density maps. Maps are stored at the end of the REF array whereas reflections are stored at the beginning. The size of the REF array is determined by parameter MAXDAT in the sftools.inc file. http://cad4.cpac.washington.edu/structures/software/WinGX/manuals/dataplots.pdf
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WebFobs vs. Fcalc. Fobs > Fcalc = something missing Fobs < Fcalc = modelled something that shouldnt be there. data collection. space group unit cell wavelength resolution total reflections unique reflections redundancy completeness 1/o1 Rmerge Rwork Rfree Rmsd B factor. NOE. nuclear oberhauser effect 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. bipasha basu workout for beginners
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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. WebComparing Fcalc and Fobs. Contribute to Taimin/Fcalc_Fobs_plot development by creating an account on GitHub. Webor if PHASE and FOM are given: the program first generates the Hendrickson-Lattman coefficients using the formula: HLA = Func(FOM)*COS(DEGTOR*PHASE), HLB = Func(FOM)*SIN(DEGTOR*PHASE), HLC = HLD = 0. i.e. the Phase probability distribution is unimodal. SIGMAcalc Use the phase information for sigmaA estimation. bipasha basu workout for weight loss