Library search - NIST MS search

[nlim]

Hello,

I did a library search in GC image (default configuration). I have noticed that when I try to check on a single blob, view its spectrum and click on search with NIST MS search program from the MS spectrum window, the hit list result changes from the initial results. I have tried the "sync" option but did not fix the issue. This makes it difficult to confirm the identification of the blob in post processing.

Thank you,
Noemae

[qtao]

Which version of NIST Library are you using?

Note that NIST23 MS Search program groups hits with the same CAS number, which makes the same hit list to look different.

[nlim]

I am using the NIST 2020 version.

I think I just had some different configuration with the NIST MS Search program. When I set the GC image library search configuration to "interactive" and not "batch", hitlist result is consistent.

Thank you!

[qtao]

FYI, Batch search mode only supports the settings shown in the GC Image configurations. For other settings available in the NIST MS Search program, it uses default values. Interactive mode calls the NIST MS Search program directly, so all settings are supported. However, Interactive mode is much slower than Batch mode. If you need to search many peaks, Batch mode could still be used as pre-screen, even if you prefer some specific NIST search settings.