Reading Analag Traces from RawFiles

[BerndMaier]

Hi there,

2 of our instruments have their LC Systems (Thermo Vanquish) directly connected through Xcalibur, with the MassSpecs (QE HF & HFX), within one system.

The LC traces (UV, Column Temp, Pump pressure etc.) are written as analog traces to the MS rawfile.

Is there a possibility to read these analog traces with rawDiag - just as the TIC trace ?

Thank you very much, Bernd

[tobiasko]

Hi Bernd,

I think we haven't tried this so far, but according to the RawFileReader documentation it is possible to read data streams coming from other detectors types than MS.

We need to check your data.

Best, Tobi

[BerndMaier]

Thank you very much - just added a File where we recorded UV to the Raw Files

[tobiasko]

@cpanse Could you try to implement a function that wraps the example C# code for Instrument (detector) List shown in UsingRawFileReader as well as Getting detector details???

[tobiasko]

Regarding analog traces: I checked a raw file that we recorded on a Exploris 480 with both A/D inputs enabled. We feed two signals from our LCs into these ports. Using the following code you can already access the recordings and plot as a function of time:

> autoQC01 <- read.raw(file = "20200730_001_autoQC01.raw", rawDiag = FALSE)
system2 is writting to tempfile  C:\Users\TOBIAS~1.FGC\AppData\Local\Temp\2\RtmpWcTL9L\file1b682c1c1f3tsv ...
unlinking C:\Users\TOBIAS~1.FGC\AppData\Local\Temp\2\RtmpWcTL9L\file1b682c1c1f3tsv ...
> xyplot(AnalogInAV ~ StartTime, data = autoQC01)

I am not sure if all Thermo systems log using AnalogInAV and AnalogInBV. The same data should be shown in Freestyle when you display a Chromatogram Range for the detector MS Trending.

[tobiasko]

Your analog traces seem to be empty:

> HFX_with_UV <- read.raw(file = "HFX_with_UV.raw", rawDiag = FALSE)
system2 is writting to tempfile  C:\Users\TOBIAS~1.FGC\AppData\Local\Temp\2\RtmpWcTL9L\file1b68321f3cb2tsv ...
unlinking C:\Users\TOBIAS~1.FGC\AppData\Local\Temp\2\RtmpWcTL9L\file1b68321f3cb2tsv ...
> summary(HFX_with_UV$AnalogInput1V)
   Min. 1st Qu.  Median    Mean 3rd Qu.    Max. 
      0       0       0       0       0       0 

[tobiasko]

Most likely your LC-related data is logged as additional instrument. Currently, we don't have a function that allows accessing other instruments, but we will check if a code extension is possible.

[BerndMaier]

Thank you very much for checking

Would be a really nice option - as to date Thermo itself has no option to quickly extract the UV traces in an automated way.