Update IPTS-21442/make_4D_temp2.py

IPTS-21442/make_4D_temp2.py

 import numpy as np
 import re
 
-for run in range(95409, 98458):
-    ws=LoadWAND(IPTS=21442,RunNumber=run,Grouping='4x4')
+for run in range(95409, 98459, 61):
+    ws = LoadWAND(IPTS=21442,RunNumber=run,Grouping='4x4')
     ub = np.array(re.findall(r'-?\d+\.*\d*', ws.run().getProperty('HB2C:CS:CrystalAlign:UBMatrix').value[0]),
                   dtype=np.float).reshape(3,3)
     sgl = np.deg2rad(_tmp_ws.run().getProperty('HB2C:Mot:sgl.RBV').value[0]) # 'HB2C:Mot:sgl.RBV,1,0,0,-1'
@@ -14,4 +14,11 @@ for run in range(95409, 98458):
                       [-np.sin(sgu),  np.cos(sgu),           0],
                       [           0,            0,           1]])
     UB = sgl_a.dot(sgu_a).dot(ub) # Apply the Goniometer tilts to the UB matrix
+    SetUB(ws, UB=UB)
+    md = ConvertToMD(ws,
+                     QDimensions='Q3D',
+                     dEAnalysisMode='Elastic',
+                     Q3DFrames='HKL',
+                     QConversionScales='HKL',
+                     OtherDimensions='HB2C:SE:SampleTemp')