Example Dataset Available?

[tombishop1]

I'd like to use the CloudCal software with spectra generated from Cox Analytical Itrax Core Scanners (specimen data available here). Would it be possible to direct me towards some specimen data so I can:

• experiment with the software without my own compatible dataset, and
• see the form of the input data; it may well be I can knock the Itrax data into the same format.

Of course, if you could integrate compatibility with these files natively in CloudCal, that'd be awesome too - I'm happy to answer any queries on the format.

Much obliged and thanks in advance,
Tom B.

[leedrake5]

Can you email me an example dataset at b.lee.drake@gmail.com? I can work on file integration from there.

[leedrake5]

Try this commit.

Make sure to manually load the DFL separately - a UI window to load this file will open up beneath the spectra browse button once "SPE" is selected as the filetype.

[tombishop1]

Hi Lee,

Thanks for looking into this, I appreciate your time. I've had mixed results - I got this working for a moment a few weeks ago when you first pushed the commit, but haven't been able to replicate it since. Maybe a dependency has changed? I have two observations:

• When I load the line_calculation branch app I immediately get the following error messages, repeated many times: "Error on client while running Shiny app: datahold is not defined". This doesn't happen on main branch. This happens if I load from the specific commit d401889 on a detached head, as well as if I load the branch.
• When I attempt to load the SPE data (using the same files I sent to you) I get the following error in the spectrum tab: "Error: attempt to set 'colnames' on an object with less than two dimensions".
• It's the same behavior on Linux, Windows and MacOS systems, using R 4.5.0.
• If I run the following: readSPEData(filepath = "L000707.spe", dfl_path = "CD166_19_(2020)_SETTINGS.dfl") I get a perfectly sensible output, so that might be ruled out?

Cheers again,
-T

[leedrake5]

Hi Tom,

Sorry it took so long to get back to this - in between projects now and had another go at it, see the latest commit and see if the issue persists. Try this commit and let me know if it works (currently live on master branch too, but going through other changes as well).