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Validator error in Splash

Open ksjewell opened this issue 1 year ago • 28 comments

Hi René,

I am getting the following Validator error:

10:33:21.420 ERROR massbank.cli.Validator - ACCESSION: MSBNK-BAFG-CSL23102611413
10:33:21.420 ERROR massbank.cli.Validator - ^
10:33:21.420 ERROR massbank.cli.Validator - Error in 'BAFG/MSBNK-BAFG-CSL23102611413.txt'.
10:33:21.473 ERROR massbank.cli.Validator - SPLASH from record file does not match SPLASH calculated from peaklist. splash10-0gx3-9000000000-fdf8d511e2f88d17c82e defined in record file, but splash10-0w3u-9000000000-fdf8d511e2f88d17c82e calculated from peaks.

I checked the file and the actual splash in the file is: ´splash10-0006-9300000000-5cd70311703e2423a1c5´

I ran the code separately and indeed this is the splash I get when I run:

Browse[1]> spec
        mz intensity
1  44.9980       0.2
2  80.0261       0.1
3  93.0321       0.4
4 108.0227       0.3
Browse[1]> splashR::getSplash(spec)
[1] "splash10-0006-9300000000-5cd70311703e2423a1c5"

So I not only don't understand where it is getting the splash ´splash10-0gx3-9000000000-fdf8d511e2f88d17c82e´ from, I also do not understand why it is computing ´splash10-0w3u-9000000000-fdf8d511e2f88d17c82e´, a different one than I am.

ksjewell avatar Oct 27 '23 11:10 ksjewell