1 Topic by NickDeez

  • NickDeez
  • Member
  • Offline

Topic: Peak Picking Problem

Hello,

I have time of flight mass spectra from neutral gas phase studies in a home built Wiley-McLaren-type reflectron-TOF-MS.  When doing the peak picking, I noticed that the point it labels is the "middle" of the peak.  However, most of my peaks aren't perfectly Gaussian, so I was wondering what I should do to have it select and label the most intense point on the peak.  I am trying to take the spectra from measuring x values in points (25000 points to a spectrum) to measuring in AMU.  Can anyone help me understand how to do this.  Thank you.

Nick Bianco
Penn State University
Chemistry Department

2 Reply by Martin

  • Martin
  • Administrator
  • Offline

Re: Peak Picking Problem

Hello Nick,
if you want to label all the peaks at their maximum ponit, just move the Picking height slider to 100%  and disable smoothing (in the Peak Picking panel).

3 Reply by NickDeez

  • NickDeez
  • Member
  • Offline

Re: Peak Picking Problem

Martin,

The other question I have now regarding version 3.9 is, how do I perform an internal calibration, similar to that which I can do in version 2.4 of mMass.  Again, thanks for your help.

Nick Bianco

4 Reply by Martin

  • Martin
  • Administrator
  • Offline

Re: Peak Picking Problem

Hi,
if you have your own internal standards, you need to define a new reference list (go to Libraries - Calibration Masses), then use it in calibration panel. If you want to calibrate on matched items, use Calibrate button in match panel. If you want to calibrate on your annotations, right-click on annotation and choose Calibrate by Annotations.