Mass-Spectrometry-Data-Companion

A data-processing tool created for use with Mass Spectrometry output. Designed to work well with excel sheets of MS data formatted to meet Radu Lab standardization specifications. Built for the undergraduate cancer research team at the UCLA Radu Lab.

Usage

There is currently no GUI. Make sure the data file is in the same directory as the data companion. Then run:

python MassSpecCompanion.py

Data Standardization Requirements

• Nucleoside categories as columns
• Specific sample compositions and trial numbers as rows

Additional Requirements for Excel Input

• Columns to be ignored should have no value (NaN)
• Particular data spots without values that are in columns that should have values should be replaced with '0' (zero)
• (A column should never have a mix of valid and empty (NaN) values. Always replace these empty spots with zero.)

Expected Inputs/Outputs examples/snippets

Valid example input

Meets Data standardization requirements.

Valid 0 values

These 0 values should be used in calculation.

Invalid NaN values

Never mix valid and NaN values.

Valid NaN usage

This column is meant to be ignored.

Roadmap

• User interface
• Reduce time complexity

Lab Info

UCLA Radu Lab

Molecular & Medical Pharmacology Department, Pancreatic Cancer Research

Thank you

Thank you to Research Team Lead Thuc Le for letting me help with your research!