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Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
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CW key referenced in TOF action #58

Closed briantoby closed 1 month ago

briantoby commented 1 month ago

Hi Brian,

I’m continuing on to run a calibration and getting a crash on a key error:

Traceback (most recent call last):
  File "/SNS/users/66j/miniconda3-new/envs/GSASII/GSAS-II/GSASII/GSASIIpwdGUI.py", line 2438, in OnCalibrate
    if G2pwd.DoCalibInst(IndexPeaks,data,Sample):
       ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/SNS/users/66j/miniconda3-new/envs/GSASII/GSAS-II/GSASII/GSASIIpwd.py", line 2325, in DoCalibInst
    GetInstParms(parmDict,varyList)
  File "/SNS/users/66j/miniconda3-new/envs/GSASII/GSAS-II/GSASII/GSASIIpwd.py", line 2241, in GetInstParms
    Sample[name][0] = parmDict[name]
                      ~~~~~~~~^^^^^^
KeyError: 'DisplaceX'
briantoby commented 1 month ago

addressed in 9a668ac5

briantoby commented 1 month ago

More work: TOF calibrate generates an infinite loop if the refinement is singular. Fixed in 9ce337e5