Opus file reader improvement

[zacmiki]

Is your feature request related to a problem?

Sort of.
In the sense that I got many OPUS files that are not saved as "absorbance" spectra but could benefit from the data treatment I could do with the package.
At the moment when trying to directly load them with the spectrochempy.read_opus of course I get an error for all those files that have not been saved as ABS

Describe the solution you'd like

maybe a modification of the read opus ?
maybe using the opusFC module. ? or scanning through the read things by brukeropusreader ?
(https://pypi.org/project/opusFC/ - - I normally use opusFC to read all the datasets included in opus files without problems)

I guess that will be used by many users who are forced and constrained to stay with the ugly opus format and could benefit from your splendid package

Describe alternatives you've considered

a separate read building a specific NDD Dataset each time

Additional context

Thanks !

[atravert]

Thank you for your suggestion. Can you attach a sample file ? I will adapt the reader and update the dev version.

[zacmiki]

Thank you !! I dont know if you are familiar with OPUS files, but assuming you are only partially having to deal with OPUS files I make a short summary to let you understand (of course ignore all the bla bla in case you know it all already) So The fact is that in OPUS you can decide to save the transmittance, the absorbance, the interferogram, .. reflectance .. , the ratio .. etc OPUS builds up the file to save and adds a (sort of) numpy array, .. for each type of data that a needs to be saved. Those can be easily converted into numpy arrays by scanning the saved datasets in the OPUS file (the OPUS file updates an internal list in which it is specified how many datasets are saved and what type they are) Normally people just need the IFG, the SSC,m the ABS and REFL , I will attach a couple of opus files of standard saves so you will get an idea in a following email, THANK YOU Hereafter I just quickly attach something PS - I truly think there would be many users for it and I am trying to “train” our users to eventually switch to Python and … THANKS! M

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On Nov 18, 2022, at 11:55 AM, Arnaud TRAVERT ***@***.***> wrote: Thank you for your suggestion. Can you attach a sample file ? I will adapt the reader and update the dev version. — Reply to this email directly, view it on GitHub <#500 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AWVNQTMBN5PTII25IYANKXLWI5OCHANCNFSM6AAAAAASELK3BM>. You are receiving this because you authored the thread.

[zacmiki]

I sent an email to reply to this , with a couple of attached files, I hope you received it . I can paste it in here in case you prefer the full thread to be in GitHub

[atravert]

Hi,
No I did not receive them. You can send me a link to these files at the following adress: arnaud.travert[at]unicaen.fr

or copy them here, at your convenience
Best,

[stucar05]

Hello two predecessor:
I am an near infrared spectrum engineer from Nanjing city, Jiangsu Province of China. Now I am reading the OPUS.0 file through opusFC or spectrochempy, but there are some error, for opusFC, the error is list out of range. like the following picture shows.

for spectrochempy, it can open the opus.0 file, but it cannot open the right block of "AB“

[stucar05]

from spectrochempy package, the "AB" block is not the rearly "AB” , it is the "Match/2.Chn"
Thanks very much for your development!!