CEFE
PACE
NIRS_Workflow

Repository



NIRS_Workflow

Getting started
This package aims to provide a workflow for users who want to perform chemical analyses and predict characteristics using the NIRS technique.
The process includes:


sample selection - you can upload all your NIRS spectra and it'll help to select the samples to analyse chemically.


model creation - the PINARD (https://github.com/GBeurier/pinard) package creates a prediction model with spectra and related chemical analysis.-


predictions - the PINARD package uses the model to predict chemical values for unknown samples.


If one wants to use data stored in a SQL database, the config file is in the config/ folder.

Installation
This package is written in python. You can clone the repository: git clone https://src.koda.cnrs.fr/CEFE/PACE/nirs_workflow.git
Then install the requirements: pip install -r requirements.txt
(OPTIONNAL) To use Locally weighted PLS Regression for creation model, you will need to install Jchemo.jl (https://github.com/mlesnoff/Jchemo.jl), a Julia package.
From the CLI: python

'>>> import julia
'>>> julia.install()
'>>> from julia import Pkg
'>>> Pkg.add("Jchemo")

To check if Jchemo is installed without errors:

'>>> Pkg.status()

You can then run (CLI): streamlit run ./app.py from within your folder.
The app will open in your default browser.

Usage
The web app allows you to process sample selection, model creation and predictions.

Authors and acknowledgment
Contributors:

Nicolas Barthes (CNRS)


License
CC BY