I would like to clean up my IR microspectroscopy graphs a little more than the options within the Opus software, but am struggling to import the ASCII files and visualise the data. Anyone manage to do this?
Hi Melissa Grant-Peters,
If you could post a sample output file from Opus 7.0 and explain what exactly has to be done, people can help you plot it by suggesting a script.
numpy.loadtxt function is generally pretty adept at reading ASCII files. You can skip a fixed number of lines (the header), or identify comment lines by some lead character (for example, #), and specify delimiter characters (tabs or spaces, etc.).
Hello,
As far as I have understood, OPUS allows to export its data in JCAMP-DX format. That is the way I support that format in PyMca to explore
microspectroscopy data (XRF, FT-IR, ...). To read a map you should use the PyMca ROI Tool if they are individual files you can use the PyMca main application. Ready to use binaries are available at:
https://sourceforge.net/projects/pymca/files/pymca/
but if you just want to use your own python code, the best is that you just "pip install PyMca5" and import the relevant modules from PyMca5.PyMcaIO:
https://github.com/vasole/pymca/tree/master/PyMca5/PyMcaIO
You will be interested in the Jcamp* files or the OpusDPTMap.py
I hope that helps.
Best regards,
Armando
You might want to take a look at:
Article Watching Kinetic Studies as Chemical Maps Using Open-Source Software
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