num_runs_2_0_determine_background_1_refine_structure
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num_runs_2_0_determine_background_1_refine_structure [2017/05/18 17:10] – alancoelho | num_runs_2_0_determine_background_1_refine_structure [2022/11/03 15:08] (current) – external edit 127.0.0.1 | ||
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+ | ====== Fixing Background ====== | ||
+ | --- // | ||
+ | |||
+ | Example use of first fitting a background, and then refining with the background fixed to refined values. The background refinement stage fits regions of the pattern that contain background only. | ||
+ | |||
+ | First Run determines background. | ||
+ | |||
+ | Second Run refines the structre with the background fixed. | ||
+ | |||
+ | < | ||
+ | |||
+ | macro Bkg_Refine | ||
+ | { | ||
+ | #if (Run_Number == 0) | ||
+ | @ | ||
+ | #endif | ||
+ | } | ||
+ | |||
+ | XDD(ceo2) | ||
+ | |||
+ | bkg Bkg_Refine 0 0 0 0 | ||
+ | | ||
+ | |||
+ | #if (Run_Number == 0) | ||
+ | ' Weight non-background regions to zero | ||
+ | weighting = | ||
+ | | ||
+ | ' Regions that contain background only | ||
+ | And(X >= 23.057, X <= 25.141), | ||
+ | And(X >= 30.763, X <= 31.142), | ||
+ | And(X >= 37.287, X <= 40.649), | ||
+ | And(X >= 50.794, X <= 51.814), | ||
+ | And(X >= 63.520, X <= 64.961), | ||
+ | And(X >= 72.105, X <= 73.245), | ||
+ | And(X >= 82.850, X <= 84.231), | ||
+ | And(X >= 91.735, X <= 92.455), | ||
+ | And(X >= 100.19, X <= 101.52), | ||
+ | And(X >= 110.10, X <= 111.36), | ||
+ | And(X >= 122.71, X <= 123.49), | ||
+ | And(X >= 132.85, X <= 133.75) | ||
+ | ), | ||
+ | 1 / Max(Yobs+1, 1), | ||
+ | 0 | ||
+ | ); | ||
+ | #else | ||
+ | CuKa5(0.0001) | ||
+ | Radius(173) | ||
+ | LP_Factor(17) | ||
+ | Full_Axial_Model(12, | ||
+ | Divergence(1) | ||
+ | Slit_Width(.1) | ||
+ | bkg @ 0 0 0 0 0 | ||
+ | One_on_X(@, 1000) | ||
+ | Zero_Error(@, | ||
+ | STR(Fm3m) | ||
+ | | ||
+ | scale @ 0.0014503208 | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | # |
num_runs_2_0_determine_background_1_refine_structure.txt · Last modified: 2022/11/03 15:08 by 127.0.0.1