Update .#Pr2NiO4_new.py Pr2NiO4_new.py

.#Pr2NiO4_new.py

+rwp@diffuse.16111:1534510807
\ No newline at end of file

Pr2NiO4_new.py

 LoadWANDSCD(IPTS=7776, RunNumbers='4756-6557', Grouping='4x4', OutputWorkspace='data')
 ConvertWANDSCDtoQ(InputWorkspace='data', NormaliseBy='None', KeepTemporaryWorkspaces=True, OutputWorkspace='q', BinningDim0='-8.01,8.01,801', BinningDim1='-0.81,0.81,81',BinningDim2='-8.01,8.01,801')
+
+FindPeaksMD(InputWorkspace='q_data', PeakDistanceThreshold=1, MaxPeaks=100, DensityThresholdFactor=500, CalculateGoniometerForCW=True, Wavelength=1.488, OutputWorkspace='peaks')
+
+FindUBUsingLatticeParameters('peaks',5.414,5.414,12.457,90,90,90)
+
+ws=LoadEventNexus(Filename='/HFIR/HB2C/IPTS-7776/nexus/HB2C_4756.nxs.h5', MetaDataOnly=True)
+AddSampleLog(ws, LogName='HB2C:Mot:detz.RBV', LogText='3.4', LogType='Number Series')
+LoadInstrument(ws, InstrumentName='WAND', RewriteSpectraMap='True')
+
+grouping = 4
+tmp_group, _, _ = CreateGroupingWorkspace(InputWorkspace=ws)
+
+group_number = 0
+for x in range(0,480*8,grouping):
+    for y in range(0,512,grouping):
+        group_number += 1
+        for j in range(grouping):
+            for i in range(grouping):
+                tmp_group.dataY(y+i+(x+j)*512)[0] = group_number
+    
+tmp_ws = GroupDetectors(InputWorkspace=ws, CopyGroupingFromWorkspace=tmp_group)
+
+table=PreprocessDetectorsToMD(tmp_ws)
+twotheta = table.column(2)
+azimuthal = table.column(3)
+data.getExperimentInfo(0).run().addProperty('twotheta', twotheta, True)
+data.getExperimentInfo(0).run().addProperty('azimuthal', azimuthal, True)