W4M/NMR - Processing

Alignment
Bucketing
Integration
Normalization
Goal

How can I get an appropriate datamatrix for statistical analysis ?

At the end of the course, you can obtain datamatrix and judge quality of alignment step.

 

Prerequisites

Knowledge of upstream preprocessing steps.

Introduction
  • Upstream tool : pre-processed matrix
  • Problem : technical bias and huge quantity of features
  • Goal : processing of the pre-processed matrix to solve misalignment, to reduce feature number and to make spectra comparable
Summary
  • Alignment
  • Bucketing/integration
  • Normalisation
Contents
Conclusion
  • Resume : bucketing=data reduction and normalisation=data comparability
  • Be careful : alignment is a crucial step to obtain reliable statistical results
  • And then ? : after this step, datamatrix is ready for statistical analysis
References
  • Dieterle et al. (2006). Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics.Analytical Chemistry, 78 (13 ):4281. https://doi.org/10.1021/ac051632c
  • Vu, T.N., Valkenborg, D., Smets, K., et al. (2011). An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data. BMC Bioinformatics, 12 : 405. doi : 10.1186/1471-2105-12-405