This function parses a tab-delimited string containing chemical data and converts it into a data frame. The string contains columns such as "Input m/z", "Matched m/z", "Delta", "Name", "Systematic name", "Formula", "Ion", "Category", "Main class", and "Sub class".
Arguments
- result
A character string, typically the output of a
mw_request()function that returns a tab-delimited string.
Value
A data frame where each row represents a set of chemical data parsed from the input string. The columns include "Input m/z", "Matched m/z", "Delta", "Name", "Systematic name", "Formula", "Ion", "Category", "Main class", and "Sub class".
Examples
result <- paste0(
"Input m/z\tMatched m/z\tDelta\tName\tSystematic name\tFormula\t",
"Ion\tCategory\tMain class\tSub class\n",
"180.063\t180.0634\t.0004\t1,3,4,5,6-Pentahydroxyhexan-2-One\t",
"1,3,4,5,6-pentahydroxyhexan-2-one\tC6H12O6\tNeutral\tOrganic oxygen ",
"compounds\tOrganooxygen compounds\tCarbohydrates and carbohydrate ",
"conjugates"
)
parsed_data <- parse_mw_output(result)
print(parsed_data)
#> # A tibble: 1 × 10
#> `Input m/z` `Matched m/z` Delta Name `Systematic name` Formula Ion Category
#> <dbl> <dbl> <dbl> <chr> <chr> <chr> <chr> <chr>
#> 1 180. 180. 4e-4 1,3,… 1,3,4,5,6-pentah… C6H12O6 Neut… Organic…
#> # ℹ 2 more variables: `Main class` <chr>, `Sub class` <chr>