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Import NMR data from vendor files #58

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deepanshs opened this issue May 12, 2021 · 5 comments
Open
2 of 4 tasks

Import NMR data from vendor files #58

deepanshs opened this issue May 12, 2021 · 5 comments
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@deepanshs
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deepanshs commented May 12, 2021

Import NMR data from vendor saved files.

  • Bruker (raw)
  • Bruker (processed data)
  • Tecmag
  • JEOL

Possibly use nmrglue to import the data and then convert the data to a CSDM object using csdmpy.

Example for converting NumPy data to CSDM object.

@deepanshs deepanshs added the help wanted Extra attention is needed label May 12, 2021
@deepanshs deepanshs linked a pull request Jun 7, 2021 that will close this issue
@deepanshs
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@mccarthy677 Is this issue relevant now that the nmrglue is the link between the vendor files and mrsimulator?

@mccarthy677
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JEOL isn't covered by nmrglue, but Bruker and Tecmag can now be loaded into mrsimulator

@deepanshs
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If I recall, nmrglue can read the Bruker processed data. Is the processed data also converted to CSDM objects?

@deepanshs
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Mentioning duplicate #200 issue and closing the duplicate.

@mgiammar
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mgiammar commented Jun 5, 2023

@deepanshs @pjgrandinetti If I recall, JOEL now supports CSDM export. Two related questions:

  1. Is this issue still relevant?
  2. Should a new issue be opened for adding import examples to the documentation?

I understand mrsimulator itself does not perform the imports, but users may find it helpful to have references grouped together.

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