Package edu.ucdavis.genomics.metabolomics.util.math

Examples of edu.ucdavis.genomics.metabolomics.util.math.CombinedRegression

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   *
   * @param m
   * @return
   */
  private Range getRIWindow(MassCandidate m) {
    CombinedRegression fit = m.getFit();
    double rt = m.getOriginalRetentionTime();

    return new Range(fit.getY(rt - timeWindow), fit.getY(rt + timeWindow));
  }
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    logger.info(dataFile + "");
    logger.info(fameTimes + "");
    logger.info(fameNames + "");

    // Apply linear/polynomial fit
    CombinedRegression fit = new CombinedRegression(5);
    fit.setData(Doubles.toArray(fameTimes), Doubles.toArray(fameIndices));

    // Add calculated retention index to each mass spectrum
    for (int scanNumber : correctedDataFile.getScanNumbers(1)) {
      CorrectedSpectrum s = (CorrectedSpectrum) correctedDataFile
          .getScan(scanNumber);
      s.setRetentionIndex((int) fit.getY(s.getRetentionTime()));
      s.setRetentionCorrection(fit, results);
    }
  }
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    logger.info(dataFile + "");
    logger.info(fameTimes + "");
    logger.info(fameNames + "");

    // Apply linear/polynomial fit
    CombinedRegression fit = new CombinedRegression(5);
    fit.setData(Doubles.toArray(fameTimes), Doubles.toArray(fameIndices));

    // Add calculated retention index to each mass spectrum
    for (int scanNumber : correctedDataFile.getScanNumbers(1)) {
      CorrectedSpectrum s = (CorrectedSpectrum) correctedDataFile
          .getScan(scanNumber);
      s.setRetentionIndex((int) fit.getY(s.getRetentionTime()));
      s.setRetentionCorrection(fit, results);
    }
  }
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Related Classes of edu.ucdavis.genomics.metabolomics.util.math.CombinedRegression

  • net.sf.mzmine.modules.deconvolutedanalysis.famealignment.FameAlignmentProcessingTask
  • net.sf.mzmine.modules.deconvolutedanalysis.massdetection.SpectraMatcherComparisonTask
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