Can I perform raw spectra centroiding on the fly by MetaboAnalyst?

Yes for only a small number of samples. The online centroiding online is designed to correct a few raw spectra data failed sanity check due to centroid issue. It is not intended for general purpose spectra centroiding.

In addition, given that the Profile data is usually quite huge (> 500MB), it is higly recommended to centroid your data with ProteoWizard before uploading (see " How to convert raw spectra data into centroid mode?").