Closed admceachran closed 9 months ago
sneumann
commented
9 months ago Hi, thanks for reporting. Indeed the mangled line seems to have come in through b2ebac16fb874be2e4a366f3e829519d8286f377 and was still correct in https://github.com/MassBank/MassBank-data/blob/982cc9dbe8c1b25cbae94e48d7b05d4af52f2fea/RIKEN_ReSpect/PT100763.txt Yours, Steffen
meier-rene
commented
9 months ago Hi, thanks for reporting. These two spectra are already broken in the original data publication: http://spectra.psc.riken.jp/menta.cgi/respect/datail/datail?accession=PT100763 http://spectra.psc.riken.jp/menta.cgi/respect/datail/datail?accession=PT102460
It looks like there was a hickup in the workflow of the original data. Its impossible for me to fix that, because I dont have the original experimental data. I will deprecate this two records.
meier-rene
commented
9 months ago Thanks for pointing us to this issue. Its solved with 7ef77a9c4c7d10509ff06e275f128c897b592bef and will be in the next release.
admceachran
commented
9 months ago Thanks Rene and Steffen for the prompt reply and fix to this issue! Glad to hear it.
Best, Andrew McEachran
On Fri, Sep 22, 2023 at 1:41 AM René Meier @.***> wrote:
Closed #243 https://github.com/MassBank/MassBank-data/issues/243 as completed.
— Reply to this email directly, view it on GitHub https://github.com/MassBank/MassBank-data/issues/243#event-10444767573, or unsubscribe https://github.com/notifications/unsubscribe-auth/AUCCFHTYPENZQS7ON7PDUD3X3VFLTANCNFSM6AAAAAA5ALZTU4 . You are receiving this because you authored the thread.Message ID: @.***>
-- Andrew D. McEachran
We identified two records that contain invalid precursor m/z values, attached here. It appears that a full string of m/z and intensity pairs is inserted into the MS$FOCUSED_ION: PRECURSOR_M/Z field when it should be just a single m/z value. Records are:
MSBNK-RIKEN_ReSpect-PT100763 MSBNK-RIKEN_ReSpect-PT100763.txt
MSBNK-RIKEN_ReSpect-PT102460 MSBNK-RIKEN_ReSpect-PT102460.txt