-
Notifications
You must be signed in to change notification settings - Fork 9
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
"An item with the same key has already been added" #8
Comments
Thank you for providing the .mzML file. We will look into this |
This has to do with a conflict between how scans are referenced internally, and the waters function:scan id format. Internally (because this was originally written with a focus on Thermo .raw data) we reference the scans using an integer, and so working with Waters data with duplicate scan numbers with different functions is problematic, as least in setting up the internal references to individual scans. There are several options for compensating for this, but I don't know enough about waters functions/scans to choose one that will reasonably represent the data file. I can see that your data has 4 functions, where functions 1 and 4 are MS1, and functions 2 and 3 are MS2. Can you give us more information about the 4 functions? Also, I noticed that it is IMS (or TW-IMS) data; you are venturing into uncharted territory with MSPathFinder... |
Hi, thanks for looking at this and replying. I believe the four channels
are-
1: Full scan MS (with ion mobility)
2: MS/MS of the 1st selected precursor (with ion mobility)
2: MS/MS of the 2nd selected precursor (with ion mobility)
3: MS scan of the lock mass channel (no ion mobility, or at least not one
that is usable.) (not relevant)
If this is uncharted territory, do you think it will ultimately be doable?
Is there other information (maybe we could ask Waters) that would help?
Thanks,
Gabe
…On Mon, Nov 6, 2017 at 12:20 PM, Bryson Gibbons ***@***.***> wrote:
This has to do with a conflict between how scans are referenced
internally, and the waters function:scan id format. Internally (because
this was originally written with a focus on Thermo .raw data) we reference
the scans using an integer, and so working with Waters data with duplicate
scan numbers with different functions is problematic, as least in setting
up the internal references to individual scans. There are several options
for compensating for this, but I don't know enough about waters
functions/scans to choose one that will reasonably represent the data file.
I can see that your data has 4 functions, where functions 1 and 4 are MS1,
and functions 2 and 3 are MS2. Also, I noticed that it is IMS (or TW-IMS)
data; you are venturing into uncharted territory with MSPathFinder...
—
You are receiving this because you authored the thread.
Reply to this email directly, view it on GitHub
<#8 (comment)>,
or mute the thread
<https://github.com/notifications/unsubscribe-auth/AErvpwQz5gbjyF8BCAIXgC8AkGHByajNks5sz2nygaJpZM4QQfQ2>
.
|
Hello,
I'm trying to run PbfGen on this mzML file, and getting the error "An item with the same key has already been added". Could you help me understand why and how I might fix this?
https://www.dropbox.com/s/9y1of85g5ju9252/091817_mix3_dda_20min.mzML?dl=0
I created the mzML file using MSConvert from Waters RAW format.
Thanks,
Gabriel
The text was updated successfully, but these errors were encountered: