library("tima")
copy_backbone()
go_to_cache()
get_file(
url = get_default_paths()$urls$examples$spectra_mini,
export = get_params(step = "create_edges_spectra")$files$spectral$raw
)create_edges_spectra()
unlink("data", recursive = TRUE)
Create edges spectra
Description
This function create edges based on fragmentation spectra similarity
Usage
create_edges_spectra(
input = get_params(step = "create_edges_spectra")\$files\$spectral\$raw,
output = get_params(step = "create_edges_spectra")\$files\$networks\$spectral\$edges\$raw,
name_source = get_params(step = "create_edges_spectra")\$names\$source,
name_target = get_params(step = "create_edges_spectra")\$names\$target,
method = get_params(step = "create_edges_spectra")\$similarities\$methods\$edges,
threshold = get_params(step = "create_edges_spectra")\$similarities\$thresholds\$edges,
matched_peaks = get_params(step =
"create_edges_spectra")\$similarities\$thresholds\$matched_peaks,
ppm = get_params(step = "create_edges_spectra")\$ms\$tolerances\$mass\$ppm\$ms2,
dalton = get_params(step = "create_edges_spectra")\$ms\$tolerances\$mass\$dalton\$ms2,
qutoff = get_params(step = "create_edges_spectra")\$ms\$thresholds\$ms2\$intensity
)
Arguments
input
|
Query file containing spectra. Currently an ‘.mgf’ file |
output
|
Output file. |
name_source
|
Name of the source features column |
name_target
|
Name of the target features column |
method
|
Similarity method |
threshold
|
Minimal similarity to report |
matched_peaks
|
Minimal number of matched peaks |
ppm
|
Relative ppm tolerance to be used |
dalton
|
Absolute Dalton tolerance to be used |
qutoff
|
Intensity under which ms2 fragments will be removed. |
Value
The path to the created spectral edges