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giovannellilab / geochem

Geochemistry pipeline for processing and visualising data from IRMS, IC and ICP-MS
https://github.com/giovannellilab/geochem
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Fix calculation of dilution change #31

Closed guillecg closed 5 months ago

guillecg commented 5 months ago

Check this line: https://github.com/giovannellilab/geochem/blob/main/R/process-icp-data.R#L157

guillecg commented 5 months ago

The issue arises from having the dilution in the sample name: since we are grouping by sample name, samples from different dilutions have a different ID, thus being a different sample. For example, sample arg23_s1_1_in_100 and arg23_s1_1_in_1000 are not considered the same.

This should be fixed in the input data, since dilution is already provided as a column and we don't need to extract it from the sample name.