Problem extracting pressure information in Panorama for SST

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Problem extracting pressure information in Panorama for SST Dave  2024-06-27 12:30:10
 

Hi all,

I am new to Skyline / Panorama (it was recommended by a collaborator), but ultimately the goal is to use it for monitoring system suitability data on a variety of instruments, mainly Waters QToF instruments, but eventually our triple quad, and maybe UV instruments too if it is possible to get that to work, but it is not high priority at the moment.

So far I have just been using our Xevo ToF instrument to acquire some test SST data (we work with small molecules), and have used Skyline (in molecules configuration) on the instrument computer to get a quick overview of the data, and then Panorama to have a more detailed look once the data is backed up to a server and can be accessed online. In both cases I have been using AutoQC to import the data, to make it as automated as possible.

I have to say I have been quite impressed with what I have seen so far, and think this could be a really useful solution for us to take our SST use to another level, and make it more proactive rather than being used for troubleshooting when things look wrong....

However, I was really hoping that I would be able to also use the column backpressure as one of my SST criteria, and it seems that I should be able to do that from what I have read. Unfortunately, when I follow the instructions how to add a new or custom QC parameter, Panorama says that there are no traces found. If I look in Masslynx I can clearly see the pressure traces, so the UPLC SST method is correctly recording the pressure (and some other parameters) as I asked it to, but this doesn't seem be getting into the Skyline or Panorama files....

Is there some trick or setting somewhere that I am missing so that the pressure traces are also loaded? Or is there a known problem with importing this data from a Waters .raw file?

Any suggestions would be gratefully received... I feel I am probably doing something wrong, but I have no idea what it is....!

Thanks,

David

 
 
jeckels responded:  2024-06-27 18:51:28

Hi David,

Thanks for your post. It sounds like Skyline isn't finding the pressure trace from your raw file and extracting it so Panorama can use it.

Can you please post about this on the Skyline support forum, and share at least one .raw file (see the guidance on the linked page)? The Skyline team is interested in extracting these pressure traces whenever possible. Fortunately, they have a relationship with Waters and other instrument vendors to make Skyline work well with their instruments and file formats.

https://skyline.ms/project/home/support/begin.view

Thanks,
Josh

 
Dave responded:  2024-07-01 04:43:37

Hi again,

I have been in contact with the Skyline support, and it seems that I need to use Skyline Daily rather than Skyline, as it is a relatively new feature to be included for Waters files.

I have now tried with Skyline Daily, just importing a single data file , and can see the System Pressure trace under View->Transitions->QC in Skyline Daily (see attached screenshot).

However, when I "Upload to Panorama" from within Skyline Daily, Panorama still says that there are no other traces available, when I try to setup a new QC metric.... I have also posted this question on the Skyline forum, but thought maybe it is more of a Panorama question now, so posted here again too...!

I have included the skyline daily file with the single raw file imported, where the pressure trace can be viewed

Thanks,
Dave