Changeset 2078

Timestamp:

Dec 3, 2015 9:32:46 AM (6 years ago)

Author:

vondreele

Message:

fix initial refinement of HKLF Scale problem; now estimates Scale if large discrepancy.

File:

• trunk/GSASIIstrMath.py (modified) (4 diffs)

trunk/GSASIIstrMath.py

@@ -2987 +2987 @@
             sumFo = 0
             sumFo2 = 0
+            sumFc2 = 0
             sumdF = 0
             sumdF2 = 0
@@ -3013 +3014 @@
                             sumFo += Fo
                             sumFo2 += ref[5+im]
+                            sumFc2 += ref[7+im]
                             sumdF += abs(Fo-np.sqrt(ref[7+im]))
                             sumdF2 += abs(ref[5+im]-ref[7+im])
@@ -3047 +3049 @@
                             sumFo += Fo
                             sumFo2 += ref[5+im]
+                            sumFc2 += ref[7+im]
                             sumdF += abs(Fo-Fc)
                             sumdF2 += abs(ref[5+im]-ref[7+im])
@@ -3068 +3071 @@
                             else:   #sp.gp.extinct
                                 next += 1
+            Scale = sumFo2/sumFc2
+            if (Scale < 0.8 or Scale > 1.2) and phfx+'Scale' in varylist:
+                print 'New scale:',Scale*parmDict[phfx+'Scale']
+                indx = varylist.index(phfx+'Scale')
+                values[indx] = Scale*parmDict[phfx+'Scale']              
             Histogram['Residuals']['Nobs'] = nobs
             Histogram['Residuals']['sumwYo'] = sumwYo