Closed sneumann closed 9 years ago
Gunnar suggested that the optimisation requires at least to parameters to be optimised. So to fail gracefulle, we need to check " length(which(sapply(peakpickingParameters, length)>1))>1" at the beginning of optimizeXcmsSet() (and likely also grouping etc)
I'll soon add a new version which simply tests different levels and uses the best level as center for the next DoE.
The branch supportSingleParameterOptimization contains support for single parameter optimization. Since only one parameter is optimized within each DoE nine different levels are tested (instead of three levels CCD tests).
e.g: level <- c(10,20) seq(min(level), max(level), diff(level)/8)
This simple approach leads to redundant level testing in consecutive DoEs which should be avoided in a final version.
merged into master branch
Hi,
I am getting an "object 'x1' not found" in a traceback(), see below. For debugging, I have restricted the parameters to be optimised to only ppm. This happens regardless whether or not I set nSlaves. What do I have to check to debug this further ?
Yours, Steffen