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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
@@ Line 1: / Line 1: @@
+====== Fixing Background ======
+ --- //[[alan.coelho@bigpond.com|Alan Coelho]] 2017/05/18 18:01//
+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.
+<code>num_runs 2
+macro Bkg_Refine
+   {
+      #if (Run_Number == 0)
+         @
+      #endif
+   }
+XDD(ceo2)
+   bkg Bkg_Refine 0 0 0 0
+   One_on_X(Bkg_Refine, 0)
+   #if (Run_Number == 0)
+      ' Weight non-background regions to zero
+      weighting =
+         If(Or(
+            ' 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)
+            ),
+/ Max(Yobs+1, 1),
+         );
+   #else
+      CuKa5(0.0001)
+      Radius(173)
+      LP_Factor(17)
+      Full_Axial_Model(12, 20, 12, 5.1, @ 7)
+      Divergence(1)
+      Slit_Width(.1)
+      bkg @ 0 0 0 0 0
+      One_on_X(@, 1000)
+      Zero_Error(@, 0)
+      STR(Fm3m)
+         phase_name CeO2
+         scale @ 0.0014503208
+         Cubic(@ 5.41)
+         site  Ce1                       occ Ce+4  1 beq @  0.2028
+         site  O1  x 0.25 y 0.25 z 0.25  occ O-2   1 beq @  0.5959
+         CS_L(@, 300)
+         Strain_L(@, 0.1)
+   #endif</code>