Generate all the possible combinations of molecular formula and calculate for each of them the monoisotopic mass and observed monoisotopic mass (m/z) In the molecular formula there may be a comment after the '$' symbol
(Array)
(object
= {})
| Name | Description |
|---|---|
options.limit number
(default 10000000)
|
Maximum number of results |
options.estimate boolean
(default false)
|
estimate the number of MF without filters |
options.canonizeMF boolean
(default true)
|
Canonize molecular formula |
options.uniqueMFs boolean
(default true)
|
Force canonization and make MF unique |
options.ionizations string
(default '')
|
Comma separated list of ionizations (to charge the molecule) |
options.onStep function?
|
Callback to do after each step |
options.filterFct string?
|
|
options.links object?
|
|
options.links.filter boolean?
|
We filter all the MF that do not match the '*X' |
Promise: