Code Monkey home page Code Monkey logo

Comments (1)

jorainer avatar jorainer commented on August 16, 2024

Just added hasMz,Spectrum and hasMz,Spectra methods that allow to test whether peak(s) with a certain m/z are present in a spectrum:

library(CompoundDb)
sp1 <- new("Spectrum2", mz = c(23.231, 123.43, 255.231, 432.0952),
           intensity = c(123, 3432, 45432, 423))
sp2 <- new("Spectrum2", mz = c(123.099, 344.531, 453.2313),
           intensity = c(231, 431, 413))
sp3 <- new("Spectrum2", mz = c(123.1001, 343.4321, 432.0921),
           intensity = c(542, 4524, 32))
spl <- Spectra(sp1, sp2, sp3)

mzs <- c(123.1, 432.0931)

## Is any of the mzs present in a spectrum?
hasMz(spl, mzs)
[1]  TRUE FALSE  TRUE

## Is there any spectrum that contains peaks matching **all**  input m/z?
hasMz(spl, mzs, which = "all")
[1] FALSE FALSE  TRUE

Parameter ppm allows to define acceptable difference between query and target m/z.

Would this eventually be something which is also interesting for MSnbase @lgatto?

from compounddb.

Related Issues (20)

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.