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Add support for importing/exporting XRD data formats #11

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lktsui opened this issue Feb 24, 2017 · 10 comments
Open

Add support for importing/exporting XRD data formats #11

lktsui opened this issue Feb 24, 2017 · 10 comments

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@lktsui
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lktsui commented Feb 24, 2017

It would be nice to support natively importing data formats from the XRD systems that are commonly used.

Please use this issue to request data formats that you want CarbonXS to support by attaching an example diffraction pattern.

@lktsui lktsui self-assigned this Feb 24, 2017
@lktsui
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lktsui commented Feb 24, 2017

Supported import formats:

  • Jade *.mdi
  • Rigaku *.ras
  • PanAnalytical *.xy

Supported export formats:

  • Jade *.mdi

@lktsui lktsui changed the title Add support for natively importing XRD data formats Add support for importing/exporting XRD data formats Feb 24, 2017
@edward651
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Yes - could you include support for Rigaku MiniFlex systems? File is very simple.
First line is sample title.
Data is in angle / intensity format separated by a space.

Thanks,
Ed.

@lktsui
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lktsui commented Mar 9, 2017

Hi @edward651,

Could you please attach an example data file (or email one to me?) so I can verify that it loads properly?

Thanks!
-Lok-kun

@edward651
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edward651 commented Mar 10, 2017 via email

@lktsui
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lktsui commented Mar 10, 2017

@edward651

Hi Ed,

Thanks for the example. This'll make integrating the import a lot easier. What's the filename extension used by the miniflex in their data files? For instance .txt / .mdi / .dat ?

-Lok-kun Tsui

@edward651
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edward651 commented Mar 10, 2017 via email

@lktsui
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lktsui commented Mar 14, 2017

I have added support for loading the Miniflex data format and also any text files with arbitrary numbers of headers in commit 09f3b9c.

It will be available in the next release version

@darkwraith
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Panalytical XRD instruments output files in *.xrdml file type. An example is attached. Currently I use highscore to convert this file into a general ascii file with 2 or 3 columns which work in carbonxs gui but a one step solution would be very helpful.

Github didn't like the file types so I renamed them both to have the .txt extension.
Panalytical File type Example.xrdml.txt

Panalytical File type Example.ASC.txt

@lktsui
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lktsui commented Jun 21, 2019 via email

@darkwraith
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I didn't know Panalytical's data viewer exported to that format. I confirmed this works so feel free to ignore my request as I understand how complicated the xrdml format is. I'm surprised the old version of highscore I use doesn't have this *.xy export capability but I guess there are reasons to update software. Thanks for the quick response!

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