Function that checks a hdx-ms dataset for correct formatting and will clean up the dataset if specified

cleanHDX(res, clean = TRUE)

Arguments

res

An object of class DataFrame containing the results of the hdx-ms experiment

clean

If TRUE will filter multiple charge states and remove missing values

Value

Returns a cleaned DataFrame

Examples

data("BRD4_apo")
BRD4_apo <- DataFrame(BRD4_apo)

cleanHDX(res = BRD4_apo, clean = TRUE)
#> DataFrame with 1728 rows and 10 columns
#>         DeutTime    Charge       State  Exposure     Start       End
#>      <character> <integer> <character> <numeric> <integer> <integer>
#> 1             0s         3        BRD4         0         1        26
#> 2             0s         3        BRD4         0         1        26
#> 3             0s         3        BRD4         0         1        26
#> 4         15.00s         3        BRD4        15         1        26
#> 5         15.00s         3        BRD4        15         1        26
#> ...          ...       ...         ...       ...       ...       ...
#> 1724    3600.00s         1        BRD4      3600       468       477
#> 1725    3600.00s         1        BRD4      3600       468       477
#> 1726   14400.00s         1        BRD4     14400       468       477
#> 1727   14400.00s         1        BRD4     14400       468       477
#> 1728   14400.00s         1        BRD4     14400       468       477
#>                    Sequence    Uptake replicate MaxUptake
#>                 <character> <numeric> <integer> <numeric>
#> 1    MSAESGPGTRLRNLPVMGDG..    0.0000         1        22
#> 2    MSAESGPGTRLRNLPVMGDG..    0.0000         2        22
#> 3    MSAESGPGTRLRNLPVMGDG..    0.0000         3        22
#> 4    MSAESGPGTRLRNLPVMGDG..   20.7989         1        22
#> 5    MSAESGPGTRLRNLPVMGDG..   20.6973         2        22
#> ...                     ...       ...       ...       ...
#> 1724             VSSPAVPPPT   3.78211         2         4
#> 1725             VSSPAVPPPT   3.76693         3         4
#> 1726             VSSPAVPPPT   3.78625         1         4
#> 1727             VSSPAVPPPT   3.75727         2         4
#> 1728             VSSPAVPPPT   3.81936         3         4