Changeset 2342

Timestamp:

Jun 24, 2016 3:36:47 PM (7 years ago)

Author:

toby

Message:

fix reading of CIF intensities with esds

Location:

trunk

Files:

• GSASII.py (modified) (1 diff)
• imports/G2pwd_CIF.py (modified) (2 diffs)

trunk/GSASII.py

@@ -1494 +1494 @@
                     var /= YI**2
                     rd.powderdata[2] = 1./var
-                rd.powderdata[3] = np.zeros_like(rd.powderdata[0])                                        
-                rd.powderdata[4] = np.zeros_like(rd.powderdata[0])                                        
-                rd.powderdata[5] = np.zeros_like(rd.powderdata[0])                                        
+                rd.powderdata[3] = np.zeros_like(rd.powderdata[0])
+                rd.powderdata[4] = np.zeros_like(rd.powderdata[0])
+                rd.powderdata[5] = np.zeros_like(rd.powderdata[0])                  
             valuesdict = {
                 'wtFactor':1.0,

trunk/imports/G2pwd_CIF.py

@@ -273 +273 @@
                 vl = np.zeros(len(x)) + 1.
             else:
+                vl = []
                 sucf = such[sui]
                 if sucf ==  '_pd_proc_ls_weight':
@@ -293 +294 @@
                     for val in cf[blk].get(sucf,'?'):
                         v,e = cif.get_number_with_esd(val)
-                        if v is None: # not parsed
-                            vl.append(0.0)
-                        elif v <= 0:
-                            vl.append(0.0)
-                        else:
-                            vl.append(1./(v*v))
+                        if v is None or e is None: # not parsed or no ESD
+                            vl.append(np.NaN)
+                        elif e <= 0:
+                            vl.append(1.)
+                        else:
+                            vl.append(1./(e*e))
             w = np.array(vl)
             # intensity modification factor