Issue 783: small molecule transition list reader should be more tolerant of missing values for InChIKey etc, and should explain properly when it rejects a mismatch
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| 2021-04-01 14:13 | Brian Pratt |
| Title | » | small molecule transition list reader should be more tolerant of missing values for InChIKey etc, and should explain properly when it rejects a mismatch | |
| Assigned To | » | Brian Pratt | |
| Type | » | Defect | |
| Area | » | Skyline | |
| Priority | » | 3 |
From a March 29 2021 email thread Brian Pratt <-> Lisa Anderson
Hi Brian,
Here is the .sky.zip and .csv of the transition list. I am trying to insert heavy 13C transitions and am getting an error.
Thanks!
Lisa Anderson
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There are a couple of issues here - although the biggest issue is that Skyline is doing a poor job of showing what they are.
A couple of light edits (attached) and the file can be copy+pasted from Excel right into the Targets window.
It's just about inconsistent use and non-use of InChiKey identifiers. Skyline should really be more tolerant of that if there's not a direct conflict, and should do a better job of explaining why it's unhappy.
Best,
Brian
Hi Brian,
Here is the .sky.zip and .csv of the transition list. I am trying to insert heavy 13C transitions and am getting an error.
Thanks!
Lisa Anderson
----
There are a couple of issues here - although the biggest issue is that Skyline is doing a poor job of showing what they are.
A couple of light edits (attached) and the file can be copy+pasted from Excel right into the Targets window.
It's just about inconsistent use and non-use of InChiKey identifiers. Skyline should really be more tolerant of that if there's not a direct conflict, and should do a better job of explaining why it's unhappy.
Best,
Brian
 20210319_Radha_Analytes_panorama_mt_LA_13C-for-skyline.csv |
| EDITED_20210319_Radha_Analytes_panorama_mt_LA_13C-for-skyline.csv |
 20210319_Radha_Agilent_QQQ_MT_20210325-LA_13C.sky.zip |
| 2021-12-30 15:21 | Brian Pratt |
| Milestone | » | 22.1 |