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Clustering MUST happen first in independent projects splitting by charge, instrument, species. After that, a library must be created only for these two categories: instrument and species, meaning all charges for the same species and same instrument should be merged in the same library but, they are not clustered together only merged at the end. For each project, we should get at the end, for example:
The first release of the project should be to create for each project provided in the folder of data, an spectral library file in
msp
.Clustering MUST happen first in independent projects splitting by
charge, instrument, species
. After that, a library must be created only for these two categories: instrument and species, meaning all charges for the same species and same instrument should be merged in the same library but, they are not clustered together only merged at the end. For each project, we should get at the end, for example:PXD008467:
Currently, the pipeline ends in the maracluster for each project, to generate the consensus, you can reuse the code from https://github.com/statisticalbiotechnology/representative-spectra-benchmark where we explored the different consensus algorithms from maracluster paper here
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