Published July 17, 2019 | Version v1

Dataset and Data treatment for Data mining Raman Microspectroscopic Responses of Cells to Drugs in Vitro using Multivariate Curve Resolution-Alternating Least Squares

  • 1. Dublin Institute of Technology
  • 2. Leitat Technologies
  • 3. CSIC

Description

Matlab scripts for the simulation and treatment of Raman datasets obtained from time dependent experiments Using MCR-ALS.

 

- SIMULATED DATA: Simulated data is obtained by adding spectra of  artificially generated  responses (weighted considering artificially generated time profiles) to an experimental cell spectrum (Initial component) Three Different Scenarios are generated. 

Spectral and time profiles are obtained from here: 

 

- EXPERIMENTAL DATA: DOX dataset obtained from here

https://doi.org/10.1002/jbio.201800328

 

 

- DATA ANALYSIS INSTRUCTIONS

Run datatreatment.m

Files

Data Manuscript MCRALS Scenarios.zip

Files (2.6 MB)

Name Size Download all
md5:22b3a97252d33c80c1b24f142471b649
2.6 MB Preview Download

Additional details

Related works

Cites
Journal article: 10.1002/jbio.201800328 (DOI)
Is cited by
Journal article: 10.1016/j.talanta.2019.120386 (DOI)

Funding

European Commission
Spectro-Metrics - Advanced Data Mining Procedures Applied to Raman Spectroscopy Investigations of Interactions between Drugs and Cells. 796287