tkimhofer/metabom8

R library for NMR/MS analyses. Workflow includes NMR data import & preprocessing, statistical modelling (PCA, O-PLS), met ID-ing, visualisation (ggplot2, plotly).. Critical functions implemented in C++ using linear algebra packages (Armadillo, Eigen) to improve run-time.

RNOASSERTION

Pinned issues

opls warning

#2 opened 2 years ago by SLily626

Closed0

Issues

noise estimation works for NMR matrix but not for individual spectrum
#8 opened 2 years ago by tkimhofer
0
NMR: PCA or OPLS model loadings: add cor(t,X) in addition to backscaling with SD
#10 opened 2 years ago by tkimhofer
0
Binning in pqn
#9 opened 2 years ago by tkimhofer
0
fix colour argument for sepctral overlay plot with superimposed reconstructed loadings
#11 opened 2 years ago by tkimhofer
0
opls warning
#2 opened 2 years ago by SLily626
0
n_max argument does not consider experiment type
#12 opened 4 years ago by PhNitschke
1
testing i can log an issue
#1 opened 4 years ago by SLily626
1
plotStocsy error
#3 opened 4 years ago by kbario
1
specify error
#4 opened 4 years ago by kbario
1
Glucose calibration error of plasma
#5 opened 4 years ago by SLily626
1
Importing non-IVDr NMR spectra
#6 opened 4 years ago by SLily626
1
read1d: No files found that match the specified parameter specification levels.
#7 opened 4 years ago by kbario
1