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mz matching

Source: R/mzrt_match_class.R
mzrt_match.Rd

Annotations will be matched to the measured data variable meta data.frame by determining which annotations ppm AND rt windows overlap with the ppm AND rt windows of the measured mz.

Usage

mzrt_match(
  variable_meta,
  mz_column,
  rt_column,
  ppm_window,
  rt_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.

rt_column

(character) Column name of the rt 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.

rt_window

(numeric, integer) Rt window to use for matching. If a single value is provided then the same rt 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 mzrt_match object with the following output slots:

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

Inheritance

A mzrt_match object inherits the following struct classes:

[mzrt_match] -> [model] -> [struct_class]

Examples

M = mzrt_match( variable_meta = data.frame(id=NA), mz_column =
character(0), ppm_window = numeric(0), id_column = character(0),
rt_column = character(0), rt_window = numeric(0))
#> Error in mzrt_match(variable_meta = data.frame(id = NA), mz_column = character(0),     ppm_window = numeric(0), id_column = character(0), rt_column = character(0),     rt_window = numeric(0)): If providing two ppm windows then the vector must be named e.g. c("variable_meta" = 5, "annotations"= 2)