Automatic peak integration in XY-data.
Project description
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
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