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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
 
Dave responded:  2024-07-01 13:16:25

Hi Dave,

Thanks for the update and glad you've got Skyline-daily extracting the trace. I can now see it getting imported into Panorama. It's not showing up as an option for a trace metric because it doesn't have a name/title associated with it.

I'm coordinating with the Skyline team on the best strategy for making it eligible for a trace metric. It shouldn't be hard for your file, but gets trickier in a hypothetical case where Skyline extracts multiple traces that don't have names and we don't want to mix and match their data.

I'll share an update here when I have it.

Thanks,
Josh
 
jeckels responded:  2024-08-06 16:10:12

Hi Dave,

The development work is done to support these unnamed traces. We're working to get the new version deployed to PanoramaWeb, and hope to have the upgrade completed in the next week or two.

Thanks,
Josh
 
Dave responded:  2024-08-27 04:57:11

That sounds great. I have been on leave, but back at work now. Looking forward to trying it out!!
Cheers,
Dave
 
Dave responded:  2024-10-11 09:10:23

Hi Josh,

Has this been implemented now? I still don't seem to be able to see the option to add a custom QC metric for the pressure trace, though I can now see the trace in Panorama if I click on the individual data files.

I have had a break from working on this for a few months, so I am not sure if I have forgotten how to do it, or whether it is not implemented yet!!

Thanks,
Dave
 
jeckels responded:  2024-10-14 09:50:21

Hi Dave,

Thanks for checking in.

Unfortunately the upgrade was delayed as some unforeseen circumstances required ordering new hardware for the server. The good news is that it's arrived. I hope that the server will be fully upgraded by the end of October.

Sorry this is taking longer than originally expected!

Thanks,
Josh
 
Dave responded:  2024-10-15 01:14:02

No problems Josh.

Thanks for the update!
 
jeckels responded:  2024-11-14 13:03:37

Hi Dave,

Please give it a try when you have a chance. As you may have already gleaned from other communication, the server has been upgraded.

Thanks,
Josh
 
Dave responded:  2025-01-13 07:36:27

Hi Josh,

This seems to be working nicely now. Thanks!!

Cheers,
Dave