Welcome to DIMEpy’s documentation!¶
Python package for the high-throughput nontargeted metabolite fingerprinting of nominal mass direct injection mass spectrometry directly from mzML files.
Features¶
- Loading mass spectrometry files from mzML.
- Support for polarity switching.
- MAD-estimated infusion profiling.
- Assay-wide outlier spectrum detection.
- Spurious peak elimination.
- Spectrum export for direct dissemination using Metaboanalyst.
- Spectral binning.
- Value imputation.
- Spectral normalisation.
- including TIC, median, mean…
- Spectral transformation.
- including log10, cube, nlog, log2, glog, sqrt, ihs…
- Export to array for statistical analysis in Metaboanalyst.
Contributors¶
- Lead Developer: Keiron O’Shea (keo7@aber.ac.uk)
- Developer: Rob Bolton (rab26@aber.ac.uk)
- Project Supervisor: Chuan Lu (cul@aber.ac.uk)
- Project Supervisor: Luis AJ Mur (lum@aber.ac.uk)
- Methods Expert: Manfred Beckmann (meb@aber.ac.uk)
License¶
DIMEpy is licensed under the GNU General Public License v3.0.