Changeset 4342 for trunk/GSASIIpwd.py

Timestamp:

Mar 5, 2020 9:42:04 AM (3 years ago)

Author:

vondreele

Message:

correct scale factor for xray .bragg file
try 1/w for xray real space & w for xray reciprocal space weights - may hve to revisit

File:

• trunk/GSASIIpwd.py (modified) (2 diffs)

trunk/GSASIIpwd.py

@@ -2286 +2286 @@
     Sample = PWDdata['Sample Parameters']
     Scale = Sample['Scale'][0]
+    if 'X' in Inst['Type'][1]:
+        Scale *= 2.
     Limits = PWDdata['Limits'][1]
     Ibeg = np.searchsorted(Data[0],Limits[0])
@@ -2454 +2456 @@
                     fl.write('  > RECIPROCAL_SPACE_PARAMETERS :: 1 %d %.4f\n'%(lines,Files[File][1]))
                     fl.write('  > REAL_SPACE_FIT :: 1 %d 1\n'%(3*lines//2))
-                    fl.write('  > REAL_SPACE_PARAMETERS :: 1 %d %.4f\n'%(3*lines//2,Files[File][1]))
+                    fl.write('  > REAL_SPACE_PARAMETERS :: 1 %d %.4f\n'%(3*lines//2,1./Files[File][1]))
     fl.write('\n')
     fl.write('BRAGG ::\n')