Python 3 Version of icoshift
Project description
pyicoshift
This is a rewrite in python of the icoshift for MATLAB by F. Savorani, G. Tomasi, S.B. Engelsen. This implementation provides all the core features as icoshift for matlab version XXX.
Snapshot of the original icoshift webpage
New, additional features:
- New target mode: select the signal with the highest correlation with all input signals as target.
- Auto interval picking: detected peaks get clustered based on distance and intervaled accordingly
- Some utility functions for more convinient import of Bruker NMR data
- Autophasing based on the "automics" algorithm
- Experimental multi-threading support for the optimal shift finding phase
- Experimental syntethic target generation from HMDB spectra
Install
pip install pyicoshift
Usage
Instance a new object of the class Icoshift, asign signals, choose intervals and target mode, call run() ; see scripts in test folder for some examples
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