Opened 8 years ago

Last modified 6 years ago

#188 assigned task

JMass: Simulation of MS1 data

Reported by: Rene Ranzinger Owned by: Rene Ranzinger
Priority: normal Milestone: GRITS - next version
Component: MS annotation management Version: GRITS 0.9.x
Severity: major Keywords:
Cc:

Description

Integrate JMass to simulate MS1 data:

  • Calculate an alignment score that says how good simulated and experimental pattern fit => can be used to find incorrect assigned charge stages
  • Create a simulated spectra to be subtracted from the experimental data to show:
    • Negative peaks indicate incorrect assignments
    • Leftover peaks can show missing annotations
      • Could create an artificial MS profile to be annotated

Change History (5)

comment:1 Changed 7 years ago by Rene Ranzinger

Milestone: GRITS - 1.1GRITS - next version

comment:2 Changed 7 years ago by Rene Ranzinger

Milestone: GRITS - next versionGRITS - 1.1 SR1

comment:3 Changed 7 years ago by Rene Ranzinger

Owner: set to Rene Ranzinger
Status: newassigned

comment:4 Changed 6 years ago by Rene Ranzinger

Milestone: GRITS - 1.1 SR1GRITS - 1.1 SR2

comment:5 Changed 6 years ago by Rene Ranzinger

Milestone: GRITS - 1.2GRITS - next version
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