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erpload from Magnettech

Posted: Wed Apr 24, 2024 6:00 am
by Emilien

Hello,
I'd like to use the eprload function to plot kinetic recored with a Magnettech spectrometer.
The kinetic mode generates a directory containing single spectra.
In the magnettech software (ESRstudio), the results can be saved with 3 different extensions: xml (new format), spe (old format), or csv.
Saving xml or csv files generates very large directory, unlike saving spe.
For example a kinetic over 24h generates a 226Mo directory in csv, a 211Mo directory in xml and a 5Mo directory in spe.
That's why I'd like to record kinetic in spe.
Unfortunately, the structure parameter arising from spe eprload does not contain at least one of the following parameters: Timestamp or KineticSamplingTime.
These informations are not available in the spe files?
Thanks!
Emilien
PS: here the first spectrum.spe of my kinetic. *.xml files are not supported for uploading...

ex_kinetic_magnettech_01.spe
(8.06 KiB) Downloaded 2651 times

Re: erpload from Magnettech

Posted: Thu May 02, 2024 11:04 pm
by Stefan Stoll

Currently, EasySpin only reads 1D .spe files.

Can you please share a two-dimensional .spe file so we can look into this?


Re: erpload from Magnettech

Posted: Mon May 06, 2024 5:47 am
by Emilien

Hello,
Actually there is no 2D files generated.
When a kinetic experiment is performed, only 1D spectra are generated in a dedicated directory, that can be saved in xml or spe format.
The parameter structure provided by the eprload function applied to a spe file does not contain any information about time. However this information should be contained in this file, because loading such a file with ESRstudio, enable to display these time informations.
Is it more clear now?
Thanks!
Emilien


Re: erpload from Magnettech

Posted: Tue May 07, 2024 2:39 pm
by Stefan Stoll

Understood, thanks.

The format specification for the SPE files that we have does not list a Timestamp or KineticSamplingTime parameter. We'll see if we can obtain a more up-to-date specification. Meanwhile, can you share the XML file corresponding to the SPE file you shared?


Re: erpload from Magnettech

Posted: Thu May 09, 2024 12:07 am
by Emilien

As xml format is not allowed for uploading, I share a zip containing the xml...

ex_kinetic_magnettech_01.zip
(199.37 KiB) Downloaded 810 times

Thanks!


Re: erpload from Magnettech

Posted: Fri May 10, 2024 8:57 am
by Stefan Stoll

Thanks. I'll follow up as soon as I hear back from Bruker/Magnettech folks.


Re: erpload from Magnettech

Posted: Wed May 22, 2024 12:22 am
by Emilien

Hello,
no news from Bruker?
Thanks!


Re: erpload from Magnettech

Posted: Tue Jun 04, 2024 12:59 pm
by Stefan Stoll

I heard back. There is no time stamp or sequence number stored inside the SPE file. Use the time stamp of the file itself to sort the spectra in time.


Re: erpload from Magnettech

Posted: Thu Jun 06, 2024 12:52 am
by Emilien

Thanks,
but unfortunately it is not possible because all the spectra are saved on the disk "at the same time". If there is a lot of spectra we can have different times but with no experimental meaning and starting from the last spectrum...


Re: erpload from Magnettech

Posted: Fri Jun 07, 2024 5:09 pm
by Stefan Stoll

This is unfortunate and definitely a flaw in the old SPE format.