A variety of different filters can be applied to the CompDb
object to
retrieve only subsets of the data. These filters extend the
AnnotationFilter::AnnotationFilter class and support the filtering concepts
introduced by Bioconductor's AnnotationFilter
package.
The supported filters are:
CompoundIdFilter
: filter based on the compound ID.FormulaFilter
: filter based on the compound's formula.InchiFilter
: filter based on the compound's InChI.InchikeyFilter
: filter based on the compound's InChI key.ExactmassFilter
: filter based on the compound's (exact) mass.NameFilter
: filter based on the compound name.MsmsMzRangeMinFilter
: retrieve entries based on the smallest m/z of all peaks of their MS/MS spectra. Requires that MS/MS spectra data are present (i.e.hasMsMsSpectra(cmp_db)
returnsTRUE
).MsmsMzRangeMaxFilter
: retrieve entries based on the largest m/z of all peaks of their MS/MS spectra. Requires that MS/MS spectra data are present (i.e.hasMsMsSpectra(cmp_db)
returnsTRUE
).SpectrumIdFilter
: retrieve entries associated with the provided IDs of MS/MS spectra.
In addition to the filters listed above, the following ones are supported by a IonDb (but not by a CompDb):
IonIdFilter
: filter based on the ion ID.IonAdductFilter
: filter based on the adduct.IonMzFilter
: filter based on the mz of the ion.IonRtFilter
: filter based on the rt of the ion.
Usage
CompoundIdFilter(value, condition = "==")
SpectrumIdFilter(value, condition = "==")
NameFilter(value, condition = "==")
MsmsMzRangeMinFilter(value, condition = ">=")
MsmsMzRangeMaxFilter(value, condition = "<=")
ExactmassFilter(value, condition = "==")
FormulaFilter(value, condition = "==")
InchiFilter(value, condition = "==")
InchikeyFilter(value, condition = "==")
IonIdFilter(value, condition = "==")
IonAdductFilter(value, condition = "==")
IonMzFilter(value, condition = "==")
IonRtFilter(value, condition = "==")
Arguments
- value
The value for the filter. For details see
AnnotationFilter::AnnotationFilter()
.- condition
The condition for the filter. For details see
AnnotationFilter::AnnotationFilter()
.
See also
supportedFilters()
for the method to list all supported filters
for a CompDb
(or a IonDb) object.
Examples
## Create a filter for the compound id
cf <- CompoundIdFilter("comp_a")
cf
#> class: CompoundIdFilter
#> condition: ==
#> value: comp_a
## Create a filter using a formula expression
AnnotationFilter(~ compound_id == "comp_b")
#> class: CompoundIdFilter
#> condition: ==
#> value: comp_b
## Combine filters
AnnotationFilterList(CompoundIdFilter("a"), NameFilter("b"))
#> AnnotationFilterList of length 2
#> compound_id == 'a' & name == 'b'
## Using a formula expression
AnnotationFilter(~ compound_id == "a" | name != "b")
#> AnnotationFilterList of length 2
#> compound_id == 'a' | name != 'b'