cheminfo / cheminfo/mspolycalc

Demo6 to be replaced

Open
#10 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
JavaScript
Stars
0
Forks
0
PR merge metrics
No merged PRs in 30d

Description

Demo 6 to be replaced by the data set from the article (attached file).
Ionization is MALDI - Direct injection - positive ion mode - Orbitrap analyzer
![analysis preferences](https://user-images.githubusercontent.com/64801281/98251470-088e9d00-1f79-11eb-9bb3-a1011f054ec2.png)

Peak picking threshold 0.5 %
Similarity 80%
Zone -0.5 - 3.5

Default preferences for the Kendrick are the following:
![image](https://user-images.githubusercontent.com/64801281/98251769-71761500-1f79-11eb-8a5f-72a35e5307b8.png)
[Demo6.MYRJ40.txt](https://github.com/cheminfo/mspolycalc/files/5494889/Demo6.MYRJ40.txt)

Contributor guide

No contributing guide indexed for this repository

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.