cmmr (version 1.0.3)

create_batch_body: Create POST request Body for batch search

Description

create_batch_body returns a string of a POST request body.

Usage

create_batch_body(
  metabolites_type = "all-except-peptides",
  databases = "[\"all-except-mine\"]",
  masses_mode = "mz",
  ion_mode = "positive",
  adducts = "[\"M+H\",\"M+Na\"]",
  tolerance = 10,
  tolerance_mode = "ppm",
  unique_mz
)

Value

If all inputs are all correctly formatted, a string of a POST request will be returned for the result.

Arguments

metabolites_type

"all-except-peptides", "only-lipids", "all-including-peptides"

databases

"all", "all-except-mine", "HMDB", "LipidMaps", "Metlin", "Kegg", "in-house", "mine"

masses_mode

"neutral", "mz"

ion_mode

"positive", "negative"

adducts

for positive mode [M+H, M+2H, M+Na, M+K,M+NH4, M+H-H2O]

tolerance

double (Range: [0..100])

tolerance_mode

"ppm", "mDa"

unique_mz

An array of unique m/zs

Examples

batch_body <- create_batch_body(
  "all-except-peptides",
  '["all-except-mine"]',
  "mz",
  "positive",
  '["M+H","M+Na"]',
  10,
  "ppm",
  c(670.4623, 1125.2555, 602.6180)
)

batch_body <- create_batch_body(
  "all-except-peptides",
  '["all-except-mine"]',
  "mz",
  "negative",
  '["M-H","M+Cl"]',
  10,
  "ppm",
  c(670.4623, 1125.2555, 602.6180)
)

if (FALSE) {
create_batch_body(c(670.4623, 1125.2555, 602.6180))
}