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Topics - Jan Stanstrup

16
Early-career Members Network (EMN) / 17th Nov WEBINAR: Smarter ways to clean LC-MS data
The EMN's next webinar is tomorrow: Smarter ways to clean LC-MS data: Use of QCs for between- and within-batch signal correction.

Click here to learn more about this latest webinar by Dr. Carl Brunius.

Please register for "Smarter ways to clean LC-MS data: Use of QCs for between- and within-batch signal correction" to be held on November 17th, 2016 11:00 UTC/12:00 BST at: 

https://attendee.gotowebinar.com/register/5575746988123613187

After registering, you will receive a confirmation email with information about joining the webinar.

Brought to you by the EMN of the Metabolomics Society
17
RMassBank / parser for massbank record --> R (list)
RMassBank first creates a list structure for the info that goes in the RMassBank record, but is there a way to go the other way?
--> A parser to read the RMassBank txt files into an R friendly structure.
20
Announcements / Announcing new forum
Dear members of the Metabolomics Society and users of the metabolomics forums,

The Website and Communications Committee, of the Metabolomics Society is excited to announce that we have now merged and updated the previous version of the metabolomics-forum.com and the Metabolomics Society’s forums (previously interest-groups.metabolomicssociety.org).
We hope that this new forum will re-ignite vibrant discussions on all things metabolomics. We have packed the new forum with new features to inspire just that. Please read below in the next post, if you want to know more about some of the new features. Please give us feedback and comments for improvement, all suggestion are welcomed. Please use the site related forum for suggestions and bug reports.

Old forum profiles
Because we merged the two old forums into a whole new forum there might have been some changes to your old user account. Following changes has been implemented:
we merged some accounts with the same name (or user ID) to avoid duplicate accounts.
In all cases the password from metabolomics-forum.com was used for the new account.
Please check your previous usernames in the user list and let me know if your accounts were not merged.

To avoid carrying over a lot of spam accounts, we have deleted all accounts with zero posts. Please feel free to create a new account if yours was deleted, our apologies for that there was no easy way to “separate the wheat from the chaff“.
For users moving over from the Metabolomics Society forum, you might have to reset your password to be able to login.
21
Other / Automatic detecion of problems during analysis
Dear all,

I was wondering if anyone was aware of any software (or a proccess included in any software) that can automatically test for problems with your analysis during the analysis itself?
I image a tool that would check for drift in retention time and line broadining, continiously check the mass calibration, check for increases in common contaminants, dramatic drops in sensitivity etc and give a running report.
Does something like this exist? Or in part?


Any hints you can give me will will be highly appreciated. I am also interested to know if others would find such a tool useful.



- Jan Stanstrup.