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The JCAMP-DX project is the reference implemention of the IUPAC JCAMP-DX spectroscopy data standard.
There is a newer version: 0.9.2
package org.jcamp.spectrum;

/**
 * base class for peaks and bands
 * @author Thomas Weber
 */
public abstract class Peak implements ISpectrumLabel {
    /** index of data point assigned to this peak */
    protected double[] position = new double[] { 0.0, 1.0 };
    /** height of peak */
    protected double height = 1.0;
    /** spectrum this peak is belonging to */
    protected Spectrum spectrum;

    /**
     * add a peak to the spectrum at the given position.
     * @param spectrum Spectrum
     * @param position double[]
     */
    public Peak(Spectrum spectrum, double[] position) {
        this.spectrum = spectrum;
        int n = position.length;
        this.position = new double[n];
        for (int i = 0; i < n; i++)
            this.position[i] = position[i];
    }
    /**
     * add a peak to the spectrum at the given position.
     * @param spectrum Spectrum
     * @param position double[]
     */
    public Peak(Spectrum spectrum, double[] position, double height) {
        this.spectrum = spectrum;
        int n = position.length;
        this.position = new double[n];
        for (int i = 0; i < n; i++)
            this.position[i] = position[i];
        this.height = height;
    }
    /**
     * Insert the method's description here.
     * 
     * @return double
     */
    public double getHeight() {
        return height;
    }
    /**
     * returns the label displayed.
     * @return java.lang.String
     */
    public abstract String getLabel();
    /**
     * returns the position.
     * @return double[]
     */
    public double[] getPosition() {
        return position;
    }
    /**
     * gets the spectrum
     * @return Spectrum
     */
    public Spectrum getSpectrum() {
        return spectrum;
    }
    /**
     * Insert the method's description here.
     * 
     * @param newHeight double
     */
    public void setHeight(double newHeight) {
        height = newHeight;
    }
    /**
     * sets the position
     * @param newPosition double[]
     */
    public void setPosition(double[] newPosition) {
        position[0] = newPosition[0];
        position[1] = newPosition[1];
    }
    /**
     * sets the spectrum this peak belongs to.
     * @param newSpectrum Spectrum
     */
    public void setSpectrum(Spectrum newSpectrum) {
        spectrum = newSpectrum;
    }
    /**
     * write debug info for label.
     * @return java.lang.String
     */
    public String toString() {
        StringBuffer label = new StringBuffer("Peak[");
        for (int i = 0; i < position.length; i++) {
            label.append(position[i]);
            if (i < position.length - 1)
                label.append(",");
        }
        label.append("]: ").append(getLabel());
        return label.toString();
    }
    /**
     * translates peak by translation vector amount.
     * @param amount double[]
     */
    public void translate(double[] amount) {
        position[0] += amount[0];
    }
}