validate_rawrrSpectrum 'StartTime'

[mblanzillotti]

Hi! Since updating to version 1.8.0 (from 1.4.0), I am no longer able to read my own Thermo raw files (recorded by direct infusion on a QE-HFX platform) and cannot run the example spectrum read-ins as part of the 'readSpectrum' documentation.

The error:

"Error in if (values$StartTime < 0) {: argument is of length zero"

appears when trying to run 'readSpectrum,' and commenting out:

"Error in if (values$StartTime < 0) {stop(...)}"

in 'validate_rawrrSpectrum' appears to fix this issue.

[cpanse]

@mblanzillotti thanks for the issue. Can you please provide me access to the raw file?

[mblanzillotti]

Hi! attached is a rawfile from a published data set that I had previously used rawrr to manipulate in R, it is a single, averaged scan of tandem MS of carbonic anhydrase acquired on a Lumos Orbitrap platform.

Also, I am currently running R 4.3.0 and rawrr version 1.8.0. When trying to read this file into my environment, I get the following error:

"Error in if (values$StartTime < 0) { : argument is of length zero"

However if I manipulate the validate_rawrrSpectrum function to either ignore the "StartTime" parameter or replace it with the "rtinseconds" parameter used in older versions of rawrr, the spectrum will read in appropriately.

Michael

On Wed, Jul 19, 2023 at 7:59 AM Christian Panse @.***> wrote:

@mblanzillotti https://github.com/mblanzillotti thanks for the issue. Can you please provide me access to the raw file?

— Reply to this email directly, view it on GitHub https://github.com/fgcz/rawrr/issues/61#issuecomment-1642040036, or unsubscribe https://github.com/notifications/unsubscribe-auth/AL7ATL7C566K6ZGPB45U3Q3XQ7K4ZANCNFSM6AAAAAAYCP34NU . You are receiving this because you were mentioned.Message ID: @.***>

[cpanse]

@mblanzillotti thanks; but I can not find the raw file. C

[cpanse]

@mblanzillotti can you please run rawrr::installRawrrExe() to also update the mono assembly!? That should solve the issue.