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.rasx file that can not be opened with the parser #165

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LeAnMi opened this issue Feb 11, 2025 · 3 comments
Open

.rasx file that can not be opened with the parser #165

LeAnMi opened this issue Feb 11, 2025 · 3 comments
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@LeAnMi
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LeAnMi commented Feb 11, 2025

Our lab received a new detector for the XRD and now whenever we measure it saves two files for every measurement. The first file can be opened and processed as normal but the second one always results in processing errors. The second file should contain data to reconstruct a 3D figure of the detected intensities on the 2D profile of the detector and can for example be used to look at preferential orientation as well as distinguishing between the substrate and our sample layer.

I added the two files from the same measurement here. I encountered problems with the one named "image" .
examples.zip

@ka-sarthak
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Hi, the issue is related to the RASX reader we import from https://github.com/FAIRmat-NFDI/readers-xrd.
Upon investigating the unzipped file structure of mittma_0025_Cu_FR_3x3_2D_map_image_001_8_20-000_-5-000.rasx, it seems that entire data is available in one binary file. This is different than the files we had encountered before, where 2D scan data is available as multiple .txt files each containing a 1D slice.

One thing to check is if there's any other options for exporting the data.

@hampusnasstrom If that's not possible, we will need to add support for reading the binary file.

@LeAnMi
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LeAnMi commented Feb 18, 2025

I tried to investigate and did not find a way to change it on the tool.

@ka-sarthak
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I could read the binary data as numbers and along with @LeAnMi, figure out how to extract the intensities. However, I am unsure how this data will fit our current XRDResult sections.

The detected diffracted rays do not correspond to an array of two_theta or omega positions. As I understand, the detector is fixed at a point in space and the 2D intensity values correspond to the 2D detection window. For this, we should define a new XRDResult section.

@ka-sarthak ka-sarthak self-assigned this Feb 19, 2025
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