gcmstools
Table of Contents
Contents
::
Getting started
»
Welcome to the
gcmstools
documentation.
Table of Contents
¶
Getting started
Installation
Python
gcmstools
Basic Setup
The processing environment
Sample Data
GCMS Filetypes
AIA Files
Simple plotting
Working with multiple data sets
Referencing and Fitting
Reference Files
Non-negative Least Squares
Data Storage
About GcmsStore Implementation
Create/Open the Container
Closing the File
Recompressing the HDF File
Adding Data
Viewing the File List
Extracting Stored Data
Stored Data Tables
Calibration and Concentration Determination
Calibration Object
Calibration Information File
Generate Calibration Curves
Determine Sample Concentrations
Isotopic Distribution Analysis
Batch Processing
Complete Processing Command
Appendix A: Running Code Samples
Using the Command Line
IPython
Working with Text Files
Appendix B
Full Manual Processing Example
Extracting Calibration Tables to Excel
Plotting a Mass Spectrum
Plotting Data and Reference MS
Plotting Data and Fitted MS
Contents
::
Getting started
»