Li-ion-spectral-clustering

Spectral clustering of mxrd spectrum for Li

Software: R version 3.3.3 Package required: kernlab

Installation guide

Follow the standard procedure at CRAN website of installing R and related packages

Instructions for use and expected output

For spectral clustering, the function of "specc" from R library 'kernlab' is utilzied to cluster the different Li-ion compounds based on the mxrd spectrum. This code divisively as opposed to agglomerate in hierarhical clustering and iteratively split the larger cluster of Li-ion compounds into 2 until we obtained 8 clusters in total.

Input: Liion_comp_528.csv

expected output

spectral clustering 

expected runtime

<10 min on 8GM RAM, Intel i5-6300U CPU@2.4GHz