Version 3_0_1

Author: tjlauer

hplcsim.html

@@ -162,7 +162,7 @@ <h1><br>Multi-Dimensional Separations</h1>
 										</td>
 										<td style="padding-left:10px;">
 											<input class="export_button" type="button" value="Export Chromatogram" onclick="logExportFileData_Full()">
-											<h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.0</h3>
+											<h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.1</h3>
 											<input class="export_button" type="button" value="Export Selected Compound" onclick="logExportFileData_Selected()">
 										</td>
 									</tr>
@@ -462,32 +462,32 @@ <h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.0</h3>
 											<td colspan="3">Flow Velocities:</td>
 										</tr>
 										<tr onmouseenter="setDesc('Flow Velocities', 'The different calculations of flow velocities. Used in calculating column efficiency.<div>-----</div><div>Open Tube: The rate at which the mobile phase would move through the column if it were empty.</div>')" onmouseleave="setDesc('', '')">
-											<td class="tab">-Open Tube:</td>
+											<td class="tab">--- Open Tube:</td>
 											<td id="open_tube_flow_velocity">Loading...</td>
 											<td>cm/s</td>
 										</tr>
 										<tr onmouseenter="setDesc('Flow Velocities', 'The different calculations of flow velocities. Used in calculating column efficiency.<div>-----</div><div>Interstitial: </div>')" onmouseleave="setDesc('', '')">
-											<td class="tab">-Interstitial:</td>
+											<td class="tab">--- Interstitial:</td>
 											<td id="intersitial_flow_velocity">Loading...</td>
 											<td>cm/s</td>
 										</tr>
 										<tr onmouseenter="setDesc('Flow Velocities', 'The different calculations of flow velocities. Used in calculating column efficiency.<div>-----</div><div>Chromatographic: </div>')" onmouseleave="setDesc('', '')">
-											<td class="tab" style="width: 200px;">-Chromatographic:</td>
+											<td class="tab" style="width: 200px;">--- Chromatographic:</td>
 											<td id="chromatographic_flow_velocity">Loading...</td>
 											<td>cm/s</td>
 										</tr>
 										<tr onmouseenter="setDesc('Flow Velocities', 'The different calculations of flow velocities. Used in calculating column efficiency.<div>-----</div><div>Reduced: </div>')" onmouseleave="setDesc('', '')">
-											<td class="tab">-Reduced:</td>
+											<td class="tab">--- Reduced:</td>
 											<td id="reduced_flow_velocity">Loading...</td>
 											<td></td>
 										</tr>
 										<tr onmouseenter="setDesc('HTEP (Height Equivalent to a Theoretical Plate)', '')" onmouseleave="setDesc('', '')">
-											<td>HETP:</td>
+											<td>H (plate height):</td>
 											<td id="HETP_chrom">Loading...</td>
 											<td>cm</td>
 										</tr>
 										<tr onmouseenter="setDesc('Theoretical Plates', 'The number of theoretical plates is the number of efficiency zones. It is dependant on the dimensions of the column and the HETP.')" onmouseleave="setDesc('', '')">
-											<td>Theoretical Plates:</td>
+											<td>Plate number:</td>
 											<td id="theoretical_plates_chrom">Loading...</td>
 											<!-- This was originally 16490 -->
 											<td></td>
@@ -537,12 +537,12 @@ <h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.0</h3>
 										</tr>
 										<tr>
 											<td>Signal Offset:</td>
-											<td><input class="number" type="number" step="any" id="signal_offset_general" onchange="calculatePeaks()" value="0.0" disabled></td>
+											<td><input class="number" type="number" step="any" id="signal_offset_general" onchange="calculatePeaks()" value="0.0"></td>
 											<td>munits</td>
 										</tr>
 										<tr>
 											<td>Noise:</td>
-											<td><input class="number" type="number" step="any" id="noise_general" onchange="calculatePeaks()" value="2.0" disabled></td>
+											<td><input class="number" type="number" step="any" id="noise_general" onchange="calculatePeaks()" value="2.0"></td>
 											<td></td>
 										</tr>
 										<tr>
@@ -703,7 +703,8 @@ <h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.0</h3>
 								<table id="headerTable">
 									<tr>
 										<th>Compound</th>
-   										<th id="headerTable_k">k&#39;</th>
+   										<!--<th id="headerTable_k">k&#39;</th>-->
+										<th id="headerTable_k">k</th>
   										<th>t<sub>R</sub> (min)</th>
 										<!--<th>sigma (s)</th>-->
 										<th>&#963; (s)</th>

index.php

@@ -6,14 +6,14 @@
 	<head>
 		<meta http-equiv="content-type" content="text/html; charset=windows-1252">
 		<meta http-equiv="Refresh"
-		content="1; url=/hplcsim/3_0_0/hplcsim.html" />
+		content="1; url=/hplcsim/3_0_1/hplcsim.html" />
 	</head>
 	<body>
 		<main>
 			<div class="hplc-resources">
 				<h1 id="page-title">Redirecting to HPLCSim...</h1>
 				<hr>
-				<h4>If you are not automatically redirected, <a href="/hplcsim/3_0_0/hplcsim.html">Click Here</a></h4>
+				<h4>If you are not automatically redirected, <a href="/hplcsim/3_0_1/hplcsim.html">Click Here</a></h4>
 			</div>
 		</main>
     <?php include($_SERVER['DOCUMENT_ROOT'].'/scaffold/footer.php'); ?>

simulator.js

@@ -728,6 +728,7 @@ function hideGradientElutionStuffs(bool){
 
 function resetMenus(){
 	log("Running 'resetMenus()'...");
+	
 	//Mobile Phase Composition
 	select_option('Acetonitrile', 'solvent_b');
 	compoundList = ["phenol", "benzonitrile", "p-chlorophenol", "acetophenone", "nitrobenzene"];
@@ -736,11 +737,33 @@ function resetMenus(){
 	document.getElementById("gradient_radio").checked = false;
 	document.getElementById("solvent_fraction_slider").value = 40;
 	document.getElementById("solvent_fraction_comp").value = 40;
+	
 	//Chromatographic Properties
 	document.getElementById("temperature_slider").value = 40;
 	document.getElementById("temperature_chrom").value = 40;
 	document.getElementById("injection_volume_chrom").value = "5.0";
 	document.getElementById("flow_rate_chrom").value = "2.0";	
+	
+	//General Properties
+	document.getElementById("signal_offset_general").value = 0;
+	document.getElementById("noise_general").value = 2.0;
+	document.getElementById("auto_time_check").checked = true;
+	document.getElementById("initial_time_general").value = 0;
+	document.getElementById("plot_points_general").value = 3000;
+	
+	//Column Properties
+	select_option('Agilent SB-C18', 'stationary_phase');
+	toggleColumnProperties('Agilent SB-C18');
+	document.getElementById("length_column").value = 100.0;
+	document.getElementById("inner_diameter_column").value = 4.6;
+	document.getElementById("particle_size_column").value = 3.0;
+	document.getElementById("interparticle_porosity_column").value = 0.4;
+	document.getElementById("intraparticle_porosity_column").value = 0.4;
+	document.getElementById("A_column").value = 1.0;
+	document.getElementById("B_column").value = 5.0;
+	document.getElementById("C_column").value = 0.05;
+	
+	
 	//compoundList
 	displayTable();
 	applyHighlightCode();
@@ -1010,6 +1033,9 @@ function renderGraph(data) {
 	new_data = [];
 	new_data[0] = aggregateSignal(data);
 
+	var domainData = aggregateSignal(data);
+	domainData[0].Ct = 0;
+	
 	createDataExportFile_Full(new_data[0]);
 
 	if (document.getElementById("dataTable").className != ""){
@@ -1021,7 +1047,8 @@ function renderGraph(data) {
 	}
 
 	x.domain(d3.extent(new_data[0], function(d) { return d.t; }));
-	y.domain(d3.extent(new_data[0], function(d) { return d.Ct; }));
+	//y.domain(d3.extent(new_data[0], function(d) { return d.Ct; }));
+	y.domain(d3.extent(domainData, function(d) { return d.Ct; }));
 	//megan.domain([0, 100]);
 
 	g.append("g")
@@ -1135,7 +1162,13 @@ function aggregateSignal(data){
 	log("Running 'aggregateSignal(data)'...");
 	base_data = data[0];
 	max_t = maximum_t(data);
-
+	
+	if(document.getElementById("signal_offset_general").value == ""){ document.getElementById("signal_offset_general").value = 0; }
+	if(document.getElementById("noise_general").value == ""){ document.getElementById("noise_general").value = 0; }
+	
+	var signalOffset = parseFloat(document.getElementById("signal_offset_general").value);
+	var noise = parseFloat(document.getElementById("noise_general").value);
+	
 	step = .01;
 	aggregate_signal = [];
 
@@ -1147,12 +1180,18 @@ function aggregateSignal(data){
 			y_targ = localInterpolation(data[k], x_targ);
 			signal += y_targ;
 		}
+		
+		var noiseValue = Math.random()*noise;
+		
 		aggregate_signal[index] = {
 					"t" : j,
-					"Ct" : signal,
+					"Ct" : signal+signalOffset+noiseValue,
 					"c" : "steelblue"
 		}
 	}
+	
+	//aggregate_signal[0].Ct = 0;
+	
 	return aggregate_signal;
 }
 
@@ -2001,7 +2040,8 @@ function calculatePeaks() {
 	if (document.getElementById("isocratic_radio").checked) {
 		mode = "isocratic";
 		hideGradientElutionStuffs("true");
-		document.getElementById("headerTable_k").innerHTML = "k'";
+		//document.getElementById("headerTable_k").innerHTML = "k'";
+		document.getElementById("headerTable_k").innerHTML = "k";
 	} else {
 		mode = "gradient";
 		hideGradientElutionStuffs("false");