//edit the following lines 

var IRfilName="propftir.jdx";
var MolfilName="propane.pdb";
var xIRVals = new Array(3370,2963,2937,2878,1450,1100,1070,1055,1016,967);
var wIRVals = new Array(200,20,20,20,20,20,20,20,20,20);
var IRxyzFile = new Array("mode3506_137.xyz","mode3157_375.xyz","mode3105_117.xyz","mode3064_079.xyz","mode1436_022.xyz","mode1402_144.xyz","mode1391_109.xyz","mode1330_978.xyz","mode1237_443.xyz","mode1183_372.xyz");
var numIRPeaks=10;
var MSxyzFile = new Array("prop59.xyz","prop42.xyz","prop31.xyz","prop29.xyz","prop28.xyz","prop27.xyz","prop15.xyz");
var xMSVals = new Array(59,42,31,29,28,27,15);
var wMSVals = new Array(0.5,0.5,0.5,0.5,0.5,0.5,0.5);
var numMSPeaks=7;
var HNscripts = new Array
("select atomno=2 or atomno=3 or atomno=4","select atomno=6 or atomno=7","select atomno=12","select atomno=9 or atomno=10");
var xHNVals = new Array(0.93,1.58,2.97,3.58);
var wHNVals = new Array(0.07,0.12,0.05,0.08);
var numHNPeaks=4;

var title="n-propanol";
var author="Prof. Robert John Lancashire";
var address1="Department of Chemistry";
var address2="University of the West Indies"; 
var address3="Mona, Kingston 7, JAMAICA";
var lastMod="17th June, 2003";

//you should not need to edit the html files.