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Hotfix read fullscan xml sift#2

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Heisenberg4322 wants to merge 55 commits intobeckywagner4:mainfrom
wacl-york:hotfix-read_many_xml_sift
Open

Hotfix read fullscan xml sift#2
Heisenberg4322 wants to merge 55 commits intobeckywagner4:mainfrom
wacl-york:hotfix-read_many_xml_sift

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willdrysdale and others added 30 commits April 24, 2023 11:38
Each table in read_sift is now wrapped in a tryCatch - this is so that the use of `read_many_sift()` can be improved.

If the new `warn` argument is set to TRUE, the first table to fail to be read will produce a warning, and the function will return NULL. If it is FALSE (the default for `read_sift()`, an error will be thrown instead.  `read_many_sift()` and `read_many_sift2()` set `warn = TRUE` so a bad file will not disrupt the reading of a whole folder. They have been adjusted to handle NULLs while binding the data.
Add error catching for read_sift
New function to add 'data' column from 'start_time' and 'time_s' or 'time_ms' to both raw SIM/fullscan and processed SIM SIFT data. Includes options to filter by phase and to force timezone.
Added blank line after @export. Function previously would not appear properly in R.
minor bug fix number 2
document update
update to descriptions and parameters. Added warning if timezone not specified. updated devtools::document() files.
Update to read_proc_sift to enable reading in processed sift files containing multiple of the three tables (with numerous start times). Enables faster processing through labsyft.
renamed column "numbers" to "CAS_number"
This function reads a processed SIFT .csv file (which contains multiple tables such as analyte conc, conc per reagent, conc per product and their raw equiavlents) over mutliple start times to create a single data frame with four columns: table, time_s, compound_identity and conc. Subsequent functions will be produced to filter and expand the columns of these tables.
Replaced the read_proc_sift function (which was malfunctioning)
New function to process processed SIFT data output from read_proc_sift
added warning to catch and remove duplicate data
…e_sift

Feature - new function to validate fullscan SIFT data as quantitative
…e_sift

Hotfix validate as quanititative sift
…_sift-2

Update validate_as_quantitative_sift.R
…_sift-3

Update validate_as_quantitative_sift.R
new functions for reading fullscan xml files
adds column reagent_mass
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