Skip to content
Please note that GitHub no longer supports your web browser.

We recommend upgrading to the latest Google Chrome or Firefox.

Learn more
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

Upate of MassBank Record format for GC-data #200

Open
tsufz opened this issue Oct 13, 2019 · 3 comments

Comments

@tsufz
Copy link
Member

tsufz commented Oct 13, 2019

No description provided.

@tsufz tsufz self-assigned this Oct 13, 2019
@tsufz tsufz added the enhancement label Oct 13, 2019
@tsufz tsufz changed the title Upate of MassBank Record format Upate of MassBank Record format for GC-data Oct 13, 2019
@tsufz

This comment has been minimized.

Copy link
Member Author

tsufz commented Oct 26, 2019

I was checking the record format in the last days. I am quite unhappy with the presentation of the scanning / mass range section. As usual, there is very differnent data:

  • MASS_RANGE_M/Z 100-2000
  • SCANNING_RANGE 50.00-400.00
  • SCANNING_RANGE 211.11@hcd22.00 [50.00-220.00]
  • SCANNING_RANGE [50.00-390.00]
  • SCANNING_RANGE 100-3000
  • SCAN_RANGE_M/Z 85-500
  • SCANNING 1 amu/sec (m/z = 20-2040)
  • SCANNING 1 sec/scan (m/z=100-1000)
  • SCANNING 1.0 sec/scan (m/z = 50-1000)
  • SCANNING_CYCLE 1.5 cycle/sec
  • SCANNING 0.1 sec/scan
  • SCANNING 5 Sec

The scan range was identified as important by @sneumann some while ago, if I remember correctly.

However, the representation in MassBank is not consolidated.

Therefore, I suggest to restructure the scanning sector:

  • SCANNING MASS_RANGE_M/Z
  • SCANNING SCAN_CYCLE
@tsufz

This comment has been minimized.

Copy link
Member Author

tsufz commented Oct 27, 2019

@schymane @sneumann @meier-rene, any comments? We promised to implement GC-HRMS in Norman and thus I would like to finalise the Records Format soon such that Nikiforos and Nikos could go ahead with the processing of records.

@schymane

This comment has been minimized.

Copy link
Member

schymane commented Oct 27, 2019

I would prefer
MASS_RANGE_M/Z (without SCANNING in front)
and maybe SCANNING_RATE or SCANNING_SETTING?
They do not all appear to be cycles, there are different units relative to other units depending on the instrument (and I guess this cannot be unified easily) but SCANNING is rather unspecific.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
2 participants
You can’t perform that action at this time.