nontargetData-package:
Quantized simulation data of isotope pattern centroids
Description
Data sets for isotope pattern grouping of LC-HRMS peaks with package nontarget.
Based on a vast set of PubChem molecular formulas, quantized (a) m/z, (b) m/z differences, (c) intensity ratios and (d) marker centroids
of simulated centroid pairs are listed for different instrument resolutions.
Details
|
Package: |
| nontargetData |
|
Type: |
| Package |
|
Version: |
| 1.0 |
|
Date: |
| 2014-07-22 |
|
License: |
| GPL-3 |