For parsing output from Shimadzu GCMSSolutions software. To generate this format of output from within the software, go to the File->Export Data... menu or change your batch settings to include ASCII data export.

Examples

import shimadzu
# Will give you a dict where each key is a sample name, and each value is
# another dict, containing the various information in the output.
samples = shimadzu.read('ASCIIData.txt')

Tables supported

Using the table names from the guide (see section "Converting Data Files to ASCII"), data from the following tables will be parsed and formatted:

• Header
• Sample Information
• Qualitative Peak Table
• Spectrum Process Table
• Spectrum Search Result
• Chromatogram (TIC)
• Spectrum

Attempting to parse output with other tables will likely not work perfectly. Currently unsupported/untested:

• Compound Quantitative Result
• Compound Search Result
• Column Performance Table
• Chromatogram (MC)

Notes

• Tables in the software are generally converted to pandas DataFrames.
• Most variables (column names, table names, etc.) are renamed to be closer to valid Python identifiers.
• Tables that have a few tablewide properties are implemented as classes, where the table data is accessible at <class_obj>.df, and the properties are instance variables of the class.