pred.opls: OPLS model predictions
In kimsche/MetaboMate: All you need for NMR-based metabolic profiling with R!

Description Usage Arguments Details Value Author(s) References See Also

Calculation of OPLS model predictions using new data

1	pred.opls(opls_model, newdata)

`opls_model`	OPLS model (regression of discriminant analysis) of class `OPLS_MetaboMate`.
`newdata`	NMR data matrix or dataframe with rows representing spectra and identical features in columns as data matrix used to calculate original OPLS model.

Class predictions for discriminant analysis are not adjusted for unbalanced sample sizes and therefore, predictions can be biased towards the group with the largest number of samples. The list element t_orth_pca represent scores of the first principal component of a PCA model caclulated with all orthogonal components, therefore, summarises all orthogonal components into a single one. This can only be done if there are more than one orthogonal components in opls_modelel, otherwise this list element is NULL.

Returned is a list with the following elements:

Y_predicted: Class or numeric outcome predictions for discriminant analysis or regression, repspectively.
t_pred: Predicted OPLS model scores for predictive component(s).
t_orth: Predicted OPLS model scores for orthogonal component(s).
t_orth_pca: Scores of a PCA model (first component) calculated using all predicted OPLS orthogonal component scores - only done when there are more than one orthogonal components in opls_model.