create_advanced_batch_body: Create POST request Body for batch search

In cmmr: CEU Mass Mediator RESTful API

Create POST request Body for batch search

Description

create_advanced_batch_body returns a string of advanced search POST request body.

Usage

create_advanced_batch_body(
  chemical_alphabet = "all",
  modifiers_type = "none",
  metabolites_type = "all-except-peptides",
  databases = "[\"hmdb\"]",
  masses_mode = "mz",
  ion_mode = "positive",
  adducts = "[\"all\"]",
  deuterium = "false",
  tolerance = "7.5",
  tolerance_mode = "ppm",
  masses = "[400.3432, 288.2174]",
  all_masses = "[]",
  retention_times = "[18.842525, 4.021555]",
  all_retention_times = "[]",
  composite_spectra = paste0("[[{ \"mz\": 400.3432, \"intensity\": 307034.88 }, ",
    "{ \"mz\": 311.20145, \"intensity\": 400.03336 }]]")
)

Arguments

chemical_alphabet	"CHNOPS", "CHNOPSCL", "ALL"
modifiers_type	"none", "NH3", "HCOO", "CH3COO", "HCOONH3", "CH3COONH3"
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"] for negative mode ["M-H", "M+Cl", "M+FA-H", "M-H-H2O"], for neutral ["M"]
deuterium	boolean 'true' 'false'
tolerance	double (Range: [0..100])
tolerance_mode	"ppm", "mDa"
masses	double
all_masses	array of doubles
retention_times	double
all_retention_times	array of doubles
composite_spectra	array of arrays of spectra_object

Value

If all inputs are all correctly formatted, a dataframe will be returned for the result.

cmmr documentation built on Oct. 5, 2024, 1:06 a.m.