Agilent OpenLab Chromatography Data System (CDS) …

1 Agilent OpenLab Chromatography data System (CDS) ezchrom Edition Users Guide CDS ezchrom Edition Users Guide Notices Agilent Technologies, Inc. 2018 No part of this manual may be reproduced in any form or by any means (including electronic storage and retrieval or translation into a foreign language) without prior agreement and written consent from Agilent Technologies, Inc. as governed by United States and international copyright laws. Manual Part Number M8201-90017 Edition Rev. B July 2018 Printed in USA Agilent Technologies, Inc. 5301 Stevens Creek Boulevard Santa Clara, CA 95051 Acknowledgements Microsoft and Windows are registered trademarks of the Microsoft Corporation. PostScript is a trademark of Adobe Systems Incorporated.

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4 Government users will receive no greater than Limited Rights as defined in FAR (June 1987) or DFAR (b)(2) (November 1995), as applicable in any technical data . Safety Notices A CAUTION notice denotes a hazard. It calls attention to an operating procedure, practice, or the like that, if not correctly performed or adhered to, could result in damage to the product or loss of important data . Do not proceed beyond a CAUTION notice until the indicated conditions are fully understood and met. A WARNING notice denotes a hazard. It calls attention to an operating procedure, practice, or the like that, if not correctly performed or adhered to, could result in personal injury or death. Do not proceed beyond a WARNING notice until the indicated conditions are fully understood and met.

5 CAUTION WARNING 3 CDS ezchrom Edition Users Guide Contents Getting Started 14 Basics of Operation 15 ezchrom eFamiliarization modules 15 Access the help files 15 View version Information 15 System architecture 16 About new file templates 17 About the instrument window 17 About navigation pane buttons 18 View online signals 19 Change view preferences 21 Instrument wizard 22 To lock or unlock the instrument window: 22 Open and save files 23 Open a method file 23 Open a sequence file 24 Open a result set 25 Open a data file 26 Open a recently opened file 28 Save a method 28 Save a master method 28 Save a sequence 28 Save a result set 29 Save a data file 29 Open a template 30 Save as a template 30 About the Chromatogram Window 30 View tiled or overlay data 31 Scroll the chromatogram 31 Add a trace 32 Axis setup 33 Annotations 34 Change the chromatogram appearance 35 Zooming 36 4 CDS ezchrom Edition Users Guide Clear overlaid traces 37 Copy to clipboard 37 Print a trace 37 Save a trace 37 Remove a trace 38 Set limits for X-axis and Y-axis 38 Chromatogram operations 39 Tutorial 47 Create a method 47 Run a sample 48 Set integration parameters

6 Graphically 48 Prepare a method for calibration 49 Calibrate a method 51 Create a sample sequence 52 Run a sequence 53 Review multilevel calibration curves 54 Change integration parameters 54 About Instruments 55 Configure instrument 56 Configure an analog detector 56 Configure an external event 57 Enable optional analysis software 58 Configure a fraction collector 58 Instrument activity log 58 View the instrument status 59 Set the instrument to Sleep or Wake mode 60 About Methods 60 Create a method with the method wizard 61 Instrument setup 62 Open instrument setup 62 Import instrument setup 62 5 CDS ezchrom Edition Users Guide Detector 1 63 Trigger 63 External events 64 Baseline check 64 Aux traces 66 Fraction collector 66 Select a new project 66 View method reports 67 Method properties 67 Method properties description 67 Method properties options 67 Method properties calibration 68 Method Properties Audit Trail Log 69 Method properties audit trail 69 data properties 71 About data file structure 71 View data file general information 72 data file description 72 View data file electronic signatures 72 data file audit trail log 73 data file audit trail 73 Advanced method options 73 To export data as part of a method 74 Export graphics 76 Column/Performance parameters 77 Select user programs and baseline files 77 Advanced method reports 78 Sample prep 78 Launch lab monitor software 79 System suitability 79 System suitability setup 80 System suitability calculations 82 Run a

7 System suitability test and print a report 82 About Integration 83 About integration tables 84 6 CDS ezchrom Edition Users Guide Integration events table 84 Manual integration fixes table 86 Baseline code descriptions 87 Graphical programming 88 Width 89 Threshold 90 Shoulder Sensitivity 90 Integration off 91 Valley to valley 92 Horizontal baseline 93 Backward horizontal baseline 94 Lowest point horizontal baseline 95 Tangent skim 96 Front tangent skim 97 Minimum area 98 Negative peak 99 Disable end of peak detection 100 Reassign peak 101 Manual baseline 102 Manual peak 103 Split peak 104 Force peak start /Force peak stop 105 Move baseline 106 Reset baseline 107 Reset baseline at valley 108 Exponential skimming 109 Front exponent skimming 110 Adjust RT window 111 Sampling rate 112 About Sequences 112 Create a sequence with the sequence wizard 113 Sequence Wizard - Method 114 Sequence Wizard - Unknowns 114 Sequence Wizard - Autosampler 116 Sequence Wizard - Calibration 116 Sequence Wizard - Reports 117 Create a reprocessing sequence 118 7 CDS ezchrom Edition Users Guide Edit a sequence 119 Easy sequence 119 Easy Sequence 119 Easy Sequence Setup 119 Create a sequence from a container sample list 120 Sequence properties 120 Sequence properties options 120 Sequence properties audit trail 121 Sequence properties audit trail log 121 About the sequence spreadsheet 122 Sequence spreadsheet context menu 122 Fill down 124 Insert a new sequence into a sequence spreadsheet

8 124 Customize the sequence spreadsheet columns 124 Sequence spreadsheet columns 125 Set sample run types 127 Set up a QC check standard 129 Concentration override 129 Set an action for a sequence run 129 About data acquisition and control 131 Single run acquisition 132 Sequence run acquisition 135 About overlapped sample prep mode 137 Bracketed calibrations 138 Schedule run 139 Reprocess a sequence 139 Open the Method from a data File 141 About the run queue 141 Add a run to the queue 142 Add a run to the result 142 User access to runs in progress 144 Stop a run in progress 144 Extend a run 145 Add and delete items in the run queue 145 Turn off processing for data acquisition 146 Submit a priority run 147 Fraction collector configuration 147 8 CDS ezchrom Edition Users Guide About the result sequence 147 View result review mode 147 Add signatures to the result sequence 148 Revoke signatures 148 Result set properties 149 About sequence reports 151 Generate a sequence report 151 View sequence reports 152 Print sequence reports 152 Edit a sequence report template 154 Edit and print a sequence contents report 154 About Calibration 156 Calibration theory 157 Steps for creating a calibration 159 Run a calibration standard 159 Define single peak 161 Define peaks 162 About the peak table 164 Change the peak table properties 170 Single level calibration using a stored data file 171 Renumbering peak ID's 172 Review calibration curves 173 Concentration calculator 175 Calibration

9 Averaging 176 Automatically average replicates 176 Calibration averaging as part of a single run or sequence 178 About replicates and averaging calibrations 179 About groups and group calibration 181 Define a group 181 About the Group Table 183 Change the Group Table properties 186 Uncalibrated group range 186 Group calibration (Calibrated Range) 187 9 CDS ezchrom Edition Users Guide Group range definition 189 Calibrated peak grouping (Named Peaks) 190 Peak group definition 191 Group range adjustment 192 Report group amounts 192 Calibrated range examples 193 About Reports 195 About report templates 196 Standard reports 197 Open a standard report 197 Open a method report 197 Save a standard report 197 Save a method report 197 Using the report editor 198 Advanced reporting 218 Create an advanced report template 218 Format cell style for advanced reports 219 Define an advanced report header/footer 219 Add a chart to an advanced report 220 Add a fill color to cells in an advanced report 221 Change advanced report grid properties 221 Add a table using the table wizard 222 Add a function using the function wizard 223 Advanced report audit trail 226 View advanced report audit trail log 226

10 Save the advanced report as a template 227 Intelligent reports 227 Create an intelligent report 227 Open an Intelligent Report 227 Save an intelligent report 227 Standard report templates 229 Area % report 229 ConfigContents report 230 Current baseline check 230 Internal standard report 230 External standard report 231 Normalization report 231 10 CDS ezchrom Edition Users Guide Error condition flags 231 About Custom Parameters 232 Set a custom parameter for a method 233 Set a custom parameter for a sequence 234 Use the European Pharmacopeia (EP) System Suitability Signal To Noise custom parameter 235 Calculation 235 Use the parameter 235 Additional notes 237 Use the United States Pharmacopia(USP) Signal To Noise custom parameter 238 Calculation 238 Use the parameter 238 Use the Peak To Valley Ratio custom parameter 240 Calculation 240 Use the parameter 240 Use the Signal Conversion custom parameter 241 Calculation 241 Use the parameter 241 Use the Channel Wide Normalization custom parameter 241 Use the parameter 242 Use the Relative Area Percent custom parameter 243 Calculation 243 Use the parameter 243 Use the Script Processor and Script Files to