Fu feces workflow wrapper
Usage
ras.Fu_feces_workflow(
source = c("Sciex", "Waters"),
ID = "Sample Name",
Sample_type = "Sample Type",
values = "Calculated Concentration (nM)",
Buffer = "HBSS",
Dilution_type = "[:digit:]+x",
Dilution_extract = "[:digit:]+(?=x$)",
Dilution_factor = 1,
stab = "Stab",
czero = "Czero",
D = (1/((1/4.8) * 0.95)),
MassBalance_2.5 = 1.75,
.compound = "Analyte Peak Name",
.checkValues = TRUE,
.summarize = FALSE
)Arguments
- source
What source the data file comes from
- ID
Column name for ID column after splitting
- Sample_type
Name for type column in raw data
- values
Column name for values in data
- Buffer
RegEx to filter by for buffer values
- Dilution_type
RegEx to filter by for dilution factor values
- Dilution_extract
RegEx for extracting the dilution factor
- Dilution_factor
Numeric value for dilution factor
- stab
RegEx to filter by for stability values
- czero
RegEx to filter by for C zero values values
- D
Numeric value for D
- MassBalance_2.5
Factor for calulating Mass Balance 10.2.5
- .compound
Column name for compounds to prefix Sample_ID,
NULL=> "Analyte Peak Name"- .checkValues
Removes "<" from the values column to make sure it can be coerced to numeric.
- .summarize
Summarize the data into unique rows in grouping column. Drops the original value columns.