In tidymass/massprocesser: Comprehensitive tools for raw metabolomics data processing

knitr::opts_chunk$set(
  collapse = TRUE,
  comment = "#>",
  warning = FALSE,
  message = TRUE,
  out.width = "100%"
)

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In this version, we just added a new function output_eic(). This can be used to generate peaks in some samples after you run process_data(). For example, you analyzed data, and found some features are very important, so you want to check the peak shapes of them in QC samples, so you can use output_eic() function.

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Set work directory

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First, you need to set the work directory to the folder which you used to run the process_data() function. For example, in our example for process_Data, we set the work directory in example/POS, so here, we also set work directory in this folder.

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Run output_eic()

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Then we can run output_eic() function.

library(massprocesser)

output_eic(path = ".", 
           query_sample_name = c("QC_1"), 
           query_peak_name = c("M70T54_POS", "M70T579_POS"),
           polarity = "positive", 
           threads = 4)

Then the peak shape of plots will be outputted in example/POS/Result.

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Session information

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sessionInfo()

tidymass/massprocesser documentation built on May 7, 2023, 10:18 p.m.