Envelope: Software for Modeling Isotope Distributions
Author Information
Author(s): Michael T. Sykes, James R. Williamson
Primary Institution: The Scripps Research Institute
Hypothesis
Can interactive software improve the modeling and fitting of complex isotope distributions in mass spectrometry?
Conclusion
Envelope is a powerful tool for calculating and visualizing complex isotope distributions for comparison to experimental data.
Supporting Evidence
- Envelope can calculate isotope distributions for multiple labeling patterns simultaneously.
- It allows for real-time adjustments to visualize how changes affect isotope distributions.
- The software is useful for both research and educational purposes.
Takeaway
Envelope is a computer program that helps scientists see and understand the different types of labels on molecules in their experiments, making it easier to analyze data.
Methodology
Envelope calculates isotope distributions using Fourier Transform convolution and allows users to interactively adjust labeling patterns and visualize results.
Limitations
Envelope is not intended to replace high-throughput batch analysis programs for large-scale data fitting.
Digital Object Identifier (DOI)
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