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jsnel avatar jsnel commented on June 14, 2024

To the best of my knowledge (it has been a very long time since I last worked on Glotaran 1.5 and/or TIMP) we don't have the chirp corrected spectra available anywhere. The spectra you do see are the spectra calculated at time zero, being defined at the center of the fitted instrument response function.

If it doesn't exist, I doubt we would make this functionality available in a future update of the Glotaran 1.5 branch as we have moved on to the development on a new Glotaran ecosystem developed in Python. But, I can discuss with my collaborators and see what the options are.

Probably the best option is to move to the new, Python based, version of glotaran (aka pyglotaran), which will be released when it is ready, and it will be ready when it is deemed stable and feature complete. We will ping you on github when that is, feel free to subscribe.

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buerviper avatar buerviper commented on June 14, 2024

Yes, just found out about pyglotaran and cannot keep my feet still until it's released.

Thanks for your detailed answer. But I just wonder: If chirp corrected kinetics are available, wouldn't chirp corrected spectra be somehow accessible (in my head, it's a 2D matrix then and it should be readable left-right and up-down)? But I understand that you probably don't have the time to investigate this in detail or to work on a fix. I'll just keep my fingers crossed that pyglotaran will have that feature implemented. :-)

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joernweissenborn avatar joernweissenborn commented on June 14, 2024

Hi, I am the lead developer of pyglotaran. I can understand you can't wait for it, but I hope you understand that you don't want to publish science based on buggy software :)

But good news: we are preparing an alpha release. If you really know what you are doing and want access to our latest features, you should subscribe at our new mailing-list and write an email with your question.

In general, the mailing-list would be a better place for your question, because within the Glotaran project, we try to keep Github issues technical and rather answer user questions at the mailing-list..

Besides, with pyglotaran, what you want is easy to achieve. More in the reply to your mail on the mailing-list ;)

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