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rcdk (version 3.8.1)

compare.isotope.pattern: Compare isotope patterns.

Description

Computes a similarity score between two different isotope abundance patterns.

Usage

compare.isotope.pattern(iso1, iso2, ips = NULL)

Value

A numeric value between 0 and 1 indicating the similarity between the two patterns

Arguments

iso1

The first isotope pattern, which should be a jobjRef corresponding to the IsotopePattern class

iso2

The second isotope pattern, which should be a jobjRef corresponding to the IsotopePattern class

ips

An instance of the IsotopePatternSimilarity class. if NULL one will be constructed automatically

Author

Miguel Rojas Cherto

References

http://cdk.github.io/cdk/2.3/docs/api/org/openscience/cdk/formula/IsotopePatternSimilarity.html

See Also

get.isotope.pattern.similarity