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Annotations will be matched to the measured data variable meta data.frame by determining which annotations ppm window overlaps with the ppm window from the measured mz.

Usage

mz_match(variable_meta, mz_column, ppm_window, id_column, ...)

Arguments

variable_meta

(data.frame) A data.frame of variable IDs and their corresponding mz values.

mz_column

(character) Column name of the mz values in variable_meta.

ppm_window

(numeric, integer) Ppm window to use for matching. If a single value is provided then the same ppm is used for both variable meta and the annotations. A named vector can also be provided e.g. c("variable_meta"=5,"annotations"=2) to use ", "different windows for each data table.

id_column

(character) Column name of the variable ids in variable_meta. id_column="rownames" will use the rownames as ids.

...

Additional slots and values passed to struct_class.

Value

A mz_match object with the following output slots:

updated(annotation_source) The input annotation source with the newly generated column.

Inheritance

A mz_match object inherits the following struct classes:

[mz_match] -> [model] -> [struct_class]

Examples

M <- mz_match(
        variable_meta = data.frame(),
        mz_column = character(0),
        ppm_window = 5,
        id_column = character(0))