[GSAS-II] Bug in BRML file importer

Brown, Matthew matthew.brown at ubc.ca
Thu Dec 12 15:34:58 CST 2024


[https://urldefense.us/v3/__https://res-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png*MgO-UncalibratedChamber__;XQ!!G_uCfscf7eWS!bNY0qQlIoNHaEq63fO0o2xzWaD5MrQhac_EIkT1kGLbz-i5qL3-iouaB9gzD87G9e6roHiNrzLK4sX3ziff9Yw2lug$  1.brml<https://urldefense.us/v3/__https://ubcca-my.sharepoint.com/:u:/g/personal/matthew_brown_ubc_ca/ETFyDK_sFwpDsUDg9__nFpABgHHJzniJRO9J5nYYqHVFOA__;!!G_uCfscf7eWS!bNY0qQlIoNHaEq63fO0o2xzWaD5MrQhac_EIkT1kGLbz-i5qL3-iouaB9gzD87G9e6roHiNrzLK4sX3zifdfPyqgxg$ >
[https://urldefense.us/v3/__https://res-1.cdn.office.net/assets/mail/file-icon/png/generic_16x16.png*MgO-UncalibratedChamber__;XQ!!G_uCfscf7eWS!bNY0qQlIoNHaEq63fO0o2xzWaD5MrQhac_EIkT1kGLbz-i5qL3-iouaB9gzD87G9e6roHiNrzLK4sX3ziff9Yw2lug$  1.raw<https://urldefense.us/v3/__https://ubcca-my.sharepoint.com/:i:/g/personal/matthew_brown_ubc_ca/EakiDvxk031GrH-Kxu26wuEBFa9YNOjoUGffypXoBnC-8w__;!!G_uCfscf7eWS!bNY0qQlIoNHaEq63fO0o2xzWaD5MrQhac_EIkT1kGLbz-i5qL3-iouaB9gzD87G9e6roHiNrzLK4sX3zifeRLFL5nA$ >

Salutations

I'm trying to do a temperature calibration for my MTC-Furnace based on the Bruker manual. So I used the automation system to get an MgO measurement at each relevant temperature, and then I was going to use GSAS-II to do Ritveld on it to get the temperature. However, when I try and open any *.brml file with more then one data set in it, I get the following error:

The Bruker .brml file reader was not able to read file C:\Users\BrukerAXS\Documents\Data\ImportantData\HighTemp\MgO-UncalibratedChamber.brml

Error message(s):

Bruker .brml file read error:
  Unhandled read exception: list index out of range
  Traceback info:
Traceback (most recent call last):
  File "C:\Users\BrukerAXS\gsas2full\GSAS-II\GSASII\GSASIIdataGUI.py", line 1007, in OnImportGeneric
    flag = rd.Reader(filename,self,buffer=rdbuffer,
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\Users\BrukerAXS\gsas2full\GSAS-II\GSASII\imports\G2pwd_BrukerRAW.py", line 287, in Reader
    x[i] = float(entry[2])
                 ~~~~~^^^
IndexError: list index out of range

(I got the exact same error when trying to import the LaB6 data; I took one of those at each temperature I got MgO data for, as I wasn't sure if the instrument parameters would change with temperature, and I figured it was better to have the data and not need it, then find I needed it later.)

Thank you all

--Dr Matthew L. Brown

P.S. If anyone has advice on high temperature PXRD, or how to calibrate an ambient high temperature chamber, or working with Bruker's Diffrac.Commander software at high temperature, I'd love to talk as some of this is rather non-intuitive and I'm way behind schedule on these experiments.

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