XRD reader

[woodg07]

I tried to load a Brucker raw version 4 XRD file from one of our instruments but got the error below. Does this package support this format?

File "stoner_convert.py", line 2, in
d=Stoner.Data.load('test_raw4.raw',filetype=Stoner.formats.instruments.XRDFile)
File "/Users/geoffwood/anaconda3/lib/python3.8/site-packages/Stoner/Core.py", line 2176, in load
filename = self.__file_dialog("r")
AttributeError: 'str' object has no attribute '_DataFile__file_dialog'

[gb119]

That's interesting - it shouldn't do that!
What version of the package are you using (Stoner.__version__)?
I think the underlyng problem might be that the XRDFile type is designed to handle DQL files - I suspect that your .raw file may not be readable and it is a consequence of that that is making it fall through to the error - although it shouldn't have crashed out in that particular way!

[woodg07]

It's '0.9.6' and I'm using python 3.8. the raw4 format is relatively new incantation from Bruker. We also have a D8 so was crossing my fingers that you had the same format...perhaps not. Can I upload a test file here to see if it works for you?

[woodg07]

You have to change the extension....
test2_raw4.raw.txt

[gb119]

Ok, I'll take a look at it. We're getting a new Brucker machine soon so I guess it will be useful to implement the format if I can find the specs somewhere...

[gb119]

Doesn't look wildly hopeful, mainly people are pointing at the (closed source) PowDLL convertor, but that seems to be not totally reliable for Bruker RAW4 formats. I've also found https://gsas-ii.readthedocs.io/en/latest/_modules/G2pwd_BrukerRAW.html from which I can reverse engineer a reader for RAW1-3. I suppose when we get our new system I could ask Brucker for the tech specs of the format, but I having a suspicion that they'll either need an NDA or a lot of money...!

[woodg07]

OK, well thanks for taking a look. Let me know if you have any luck!