mpint 1.0.2

Automatic peak integration in XY-data.

MPINT :: peak integration in multiple spectra

• The MPINT package reads series of spectra...
  • saves each spectrum as PNG image
  • integrates peaks defined by the user
  • and calculates indexes defined by the user.
• Explanation of key terms:
  • Series of spectra = set of XY-files (ascii files with two columns: X,Y)
  • User-defined peaks = peaks are defined by minimum and maximum X-values
  • User-defined indexes = indexes are defined as ratios between peak areas
  • Example: IR oxidation index = (area of C=O peak) / (standard peak area)
• Simple user definition of peaks and indexes:
  • Both peaks and indexes are defined in a very simple PY-library.
  • Every user can easily create and/or modify its own libraries.
  • Once the library is defined, all calculations are fully automatic.

Installation

• MPint is a standard Python package.
• Consequently, it can be installed in a usual way: pip install mpint
• It should work with any [Python >=3.6 distribution] that includes Scipy modules.

Documentation, help, examples, demos...

• Complete documentation is at Github ⇒ https://mirekslouf.github.io/mpint

Brief history

• Old versions of MPINT: Perl + GNUplot; work fine, not not too user-friendly
• Version 1.0 = re-written in Python, tested on datafiles from CZ, IT, ES