Agilent GC-MSD ChemStation and Instrument Operation

仪器资料 · 发表于 2018-2-1 20:25:01

Agilent GC-MSD ChemStation and Instrument Operation
Volume 2
G1701DA Version D.02.00
Course Number H4043A

Table Of Contents
QUALITATIVE DATA ANALYSIS........................................................................................ 1
WHAT YOU WILL LEARN ........................................................................................................ 2
GENERAL QUALITATIVE PROCEDURES ..................................................................................... 3
NAVIGATION PANEL................................................................................................................ 4
STANDARD MOUSE FUNCTIONS IN DATA ANALYSIS ................................................................. 5
RIGHTCLICK MOUSE FUNCTIONS............................................................................................. 6
RTE INTEGRATOR................................................................................................................... 7
CHEMSTATION INTEGRATOR ................................................................................................. 10
SYNCHRONOUS SIM/SCAN DATA ........................................................................................... 13
PEAK PURITY........................................................................................................................ 14
CHEMSTATION LIBRARY SEARCH .......................................................................................... 16
WHAT IS A LIBRARY SEARCH?............................................................................................... 17
PBM LIBRARY SEARCH CONCEPTS ........................................................................................ 18
HOW DOES PBM LIBRARY SEARCH WORK?........................................................................... 20
STEPS IN LIBRARY SEARCHING .............................................................................................. 21
SELECTING THE LIBRARY(S) TO BE SEARCHED........................................................................ 22
LIBRARY SEARCH STRATEGIES .............................................................................................. 23
PBM LIBRARY SEARCH RESULTS .......................................................................................... 26
LIBRARY SEARCH TEXT RESULTS .......................................................................................... 27
LIBRARY SEARCH STATISTICS................................................................................................ 28
AUTOMATED LIBRARY SEARCHING........................................................................................ 30
LIBRARY SEARCH REPORT..................................................................................................... 32
FACTORS AFFECTING THE LIBRARY SEARCH .......................................................................... 33
PARAMETRIC RETRIEVAL ...................................................................................................... 34
PARAMETRIC RETRIEVAL RESULTS ........................................................................................ 36
USER CREATED LIBRARIES .................................................................................................... 37
STEPS TO CREATE A USER LIBRARY....................................................................................... 38
ADDING AND EDITING ENTRIES IN THE USER LIBRARY ........................................................... 39
DOSCAN............................................................................................................................. 40
METHODS FLOWCHART ......................................................................................................... 41
LAB EXERCISE: QUALITATIVE DATA ANALYSIS........................................................ 43
CHROMATOGRAMS AND GRAPHICS ........................................................................................ 45
MASS SPECTRA ..................................................................................................................... 47
RIGHTCLICK MOUSE FUNCTIONS........................................................................................... 48
BACKGROUND SUBTRACTION ................................................................................................ 49
INTEGRATION........................................................................................................................ 50
PEAK PURITY ANALYSIS........................................................................................................ 52
RESIZING WINDOWS .............................................................................................................. 53
LIBRARY SEARCHING ............................................................................................................ 54
AUTOMATING LIBRARY SEARCHES ........................................................................................ 56
DOSCAN............................................................................................................................. 58
BUILDING PBM LIBRARIES.................................................................................................... 59
EDITING LIBRARIES............................................................................................................... 61
PARAMETRIC RETRIEVAL ...................................................................................................... 62
CREATING SUBSET LIBRARIES ............................................................................................... 64
QUANTITATIVE DATA ANALYSIS.................................................................................... 67
WHAT YOU WILL LEARN ...................................................................................................... 68
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QUANTITATION CONCEPTS .................................................................................................... 69
THE QUANTITATION PROCESS................................................................................................ 70
INTERNAL STANDARDS.......................................................................................................... 71
SETTING UP A QUANTITATION DATABASE.............................................................................. 72
QUANTITATION DATABASE GLOBALS .................................................................................... 73
ENTERING COMPOUNDS......................................................................................................... 75
USING THE MOUSE TO ENTER COMPOUNDS............................................................................ 76
INTERNAL STANDARDS ORDER IN THE DATABASE .................................................................. 78
UPDATE CALIBRATION .......................................................................................................... 79
CALIBRATION USING AUTOQUANT ........................................................................................ 81
AUTOQUANT – ADDING COMPOUNDS .................................................................................... 82
AUTOQUANT – ADDING LEVELS............................................................................................ 83
COMPOUND INFORMATION – PAGE 1...................................................................................... 84
COMPOUND INFORMATION – PAGE 2...................................................................................... 87
COMPOUND INFORMATION – PAGE 3...................................................................................... 88
PLOT CALIBRATION CURVE ................................................................................................... 90
QUANTITATION REPORT OPTIONS .......................................................................................... 91
INTERACTIVE QUANTITATION................................................................................................ 94
AUTOMATIC QUANTITATION AND REPORTING........................................................................ 96
MANUAL REINTEGRATION USING QEDIT ................................................................................ 97
CHANGING DATA STATES...................................................................................................... 99
TROUBLESHOOTING A QUANTITATION DATABASE................................................................ 100
TRACE MODE QUANT.......................................................................................................... 102
LOCATE A COMPOUND / LOCATE ALL COMPOUNDS .............................................................. 104
EASYID.............................................................................................................................. 105
GLOBAL UPDATE ................................................................................................................ 107
DOLIST............................................................................................................................. 108
AUTOMATION TOOLS: AUTOSIM......................................................................................... 110
MODIFYING SIMMETHOD PARAMETERS ............................................................................. 112
EMETHODS ......................................................................................................................... 113
METHODS FLOWCHART ....................................................................................................... 114
LAB EXERCISE: QUANTITATION OF SIM DATA......................................................... 115
SETTING QUANTITATION INTEGRATION................................................................................ 116
SETTING UP THE CALIBRATION: ........................................................................................... 119
CREATING A MULTI-LEVEL CALIBRATION DATABASE .......................................................... 124
QUANTITATING AN UNKNOWN............................................................................................. 126
MANUALLY REQUANTITATING A COMPOUND....................................................................... 128
ADDING AUTOMATIC REPORT GENERATION TO A METHOD................................................... 129
AUTOMATION TOOLS .......................................................................................................... 130
CHANGING DATA STATE ..................................................................................................... 132
EASYID.............................................................................................................................. 133
LAB EXERCISE: QUANTITATION OF SCAN DATA..................................................... 135
SETTING UP QUANTITATION INTEGRATION........................................................................... 137
SETTING UP THE CALIBRATION: ........................................................................................... 140
CREATING A MULTI-LEVEL CALIBRATION DATABASE .......................................................... 145
QUANTITATING AN UNKNOWN............................................................................................. 147
MANUALLY REQUANTITATING A COMPOUND....................................................................... 150
ADDING AUTOMATIC REPORT GENERATION TO A METHOD................................................... 151
AUTOMATION TOOLS .......................................................................................................... 152
CHANGING DATA STATE ..................................................................................................... 154
EASYID.............................................................................................................................. 155
CUSTOM REPORTS AND DATABASES........................................................................... 157
WHAT YOU WILL LEARN .................................................................................................... 158
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CUSTOM REPORTS MENUS................................................................................................... 159
CUSTOM REPORTS CONTROL PANEL .................................................................................... 160
CUSTOM REPORTS WIZARD ................................................................................................. 162
CUSTOM REPORTS DRAG AND DROP .................................................................................... 164
CUSTOM REPORTS FORMATTING.......................................................................................... 166
CUSTOM REPORTS PAGE SETUP ........................................................................................... 168
SAVING THE REPORT TEMPLATE .......................................................................................... 170
INTERACTIVELY PRINTING CUSTOM REPORTS ...................................................................... 171
PRINTING MULTIPLE CUSTOM REPORTS ............................................................................... 172
DATABASE CONTROL PANEL ............................................................................................... 174
DATABASE WIZARD ............................................................................................................ 176
DATABASE DRAG AND DROP ............................................................................................... 178
DATABASE FORMATTING..................................................................................................... 180
DATABASE CHARTS............................................................................................................. 182
SAVING THE DATABASE ...................................................................................................... 185
INTERACTIVELY UPDATING THE DATABASE ......................................................................... 186
MULTIPLE FILE UPDATING OF THE DATABASE...................................................................... 187
METHODS FLOWCHART ....................................................................................................... 188
LAB EXERCISE: CUSTOM REPORTS............................................................................. 189
CREATING A TEMPLATE....................................................................................................... 190
CREATING A DATABASE ...................................................................................................... 204
RPN COMMANDS............................................................................................................... 209
WHAT YOU WILL LEARN .................................................................................................... 210
SYNTAX FOR COMMANDS.................................................................................................... 211
THE RPN REGISTER STACK ................................................................................................. 212
THE FILE COMMAND.......................................................................................................... 213
THE TIC COMMAND............................................................................................................ 215
THE DRAWCOMMAND ...................................................................................................... 216
THE DRAWCOMMAND (CONTINUED) ................................................................................. 218
THE DRAWCOMMAND (CONTINUED) ................................................................................. 219
THE RTEINT COMMAND .................................................................................................... 220
THE PEAKNUMBER COMMAND........................................................................................ 221
THE PEAKNUMBER COMMAND (CONTINUED) ................................................................... 223
THE EXCHANGE COMMAND ............................................................................................. 224
THE MERGE COMMAND..................................................................................................... 225
THE REMOVE COMMAND.................................................................................................. 226
THE CHROMATOGRAMCOMMAND................................................................................. 227
THE SPECTRUMCOMMAND.............................................................................................. 229
THE TABULATE COMMAND.............................................................................................. 230
THE TABULATE COMMAND (CONTINUED) ......................................................................... 232
THE TABULATE COMMAND (CONTINUED) ......................................................................... 233
THE TABULATE COMMAND (CONTINUED) ......................................................................... 234
PRINTER OUTPUT COMMANDS ............................................................................................. 235
LAB EXERCISE: RPN......................................................................................................... 237
RPN BASICS ....................................................................................................................... 238
REGISTER MANIPULATION................................................................................................... 241
VARIABLES......................................................................................................................... 242
SPECTRAL MANIPULATIONS................................................................................................. 243
EXTRACTED ION CHROMATOGRAMS .................................................................................... 245
GENERATING OUTPUT TO THE PRINTER................................................................................ 246
INTRODUCTION TO MACROWRITING........................................................................ 247
GROUP EXERCISE................................................................................................................ 248
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MACRO NAMES AND FILES .................................................................................................. 249
FOUR WAYS TO EXECUTE A MACRO .................................................................................... 250
CONDITIONAL STATEMENTS ................................................................................................ 251
IF-THEN-ENDIF........................................................................................................... 251
IF-THEN-ELSE-ENDIF................................................................................................. 251
WHILE-ENDWHILE...................................................................................................... 251
VARIABLES......................................................................................................................... 252
EXAMPLE OF VARIABLE USE ............................................................................................... 253
THE ON_ERRORCOMMAND.............................................................................................. 254
CREATIVE MACRO WRITING................................................................................................ 255
HELPFUL HINTS WHEN WRITING MACROS ........................................................................... 256
PREPARING A CUSTOM MACRO FOR DATA ANALYSIS ........................................................... 257
CUSTOM MACROS FOR PRE- AND POST-RUN TASKS.............................................................. 259
METHODS FLOWCHART ....................................................................................................... 260
LAB EXERCISE: MACROS................................................................................................ 261
INTRODUCTION TO WRITING MACROS.................................................................................. 262
MACRO FORMATTING .......................................................................................................... 263
MACRO EXERCISE #1 .......................................................................................................... 264
MACRO EXERCISE #2 .......................................................................................................... 270
MACRO EXERCISE #3 .......................................................................................................... 273
MACRO EXERCISE #4 .......................................................................................................... 274
MACRO EXERCISE ANSWER................................................................................................. 275
SEQUENCING...................................................................................................................... 279
WHAT YOU WILL LEARN .................................................................................................... 280
WHAT IS A SEQUENCE?........................................................................................................ 281
CREATING A SEQUENCE....................................................................................................... 282
CONFIGURING THE SEQUENCE TABLE .................................................................................. 284
ASSIGNING DATA FILE NAMES ............................................................................................ 285
ADDITIONAL SEQUENCING OPTIONS .................................................................................... 287
SIMULATING A SEQUENCE ................................................................................................... 289
RUNNING/REPROCESSING A SEQUENCE ................................................................................ 290
VIEWING A SEQUENCE......................................................................................................... 292
IMPORTING SEQUENCE INFORMATION .................................................................................. 293
SECURED CONTROL............................................................................................................. 295
SECURED CONTROL ACCOUNTS ........................................................................................... 296
SECURED CONTROL METHODS............................................................................................. 298
INSTRUMENT STARTUP/STANDBY METHODS ........................................................................ 299
SECURED CONTROL OPERATION .......................................................................................... 300
SAMPLE-CENTRIC SECURED CONTROL ................................................................................. 303
ASSIGNING SAMPLE NAMES TO METHODS............................................................................ 304
RETENTION TIME LOCKING (RTL) ....................................................................................... 305
STEPS IN RETENTION TIME LOCKING (RTL) ......................................................................... 307
RELOCKING THE METHOD ................................................................................................... 309
STEPS IN RELOCKING THE METHOD...................................................................................... 310
WHAT IS THE “SAMPLE SCREENER?”.................................................................................... 312
STEPS IN CREATING A “SCREENER”METHOD ....................................................................... 313
Creating a Retention Time Locked GC/MS Method......................................................... 314
Creating the Mass Spectral Library................................................................................ 314
Creating the Custom Screening Database....................................................................... 314
Checking the Custom Screening Database...................................................................... 314
THE RESULTS SCREENER VIEW............................................................................................ 315
LAB EXERCISE: SEQUENCING, SECURED CONTROL, AND RTL............................ 317
SEQUENCING....................................................................................................................... 318
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IMPORTING INFORMATION FROM A CSV FILE....................................................................... 320
SECURED CONTROL............................................................................................................. 323
SAMPLE-CENTRIC SECURED CONTROL ................................................................................. 326
RETENTION TIME LOCKING (RTL) ....................................................................................... 329
APPENDIX ........................................................................................................................... 339
INSTRUMENT CONTROL MENUS –METHOD .......................................................................... 340
INSTRUMENT CONTROL MENUS – INSTRUMENT.................................................................... 341
INSTRUMENT CONTROL MENUS – SEQUENCE ....................................................................... 342
INSTRUMENT CONTROL MENUS – VIEW ............................................................................... 343
INSTRUMENT CONTROL MENUS – ABORT............................................................................. 344
INSTRUMENT CONTROL MENUS – CHECKOUT....................................................................... 345
INSTRUMENT CONTROL MENUS – SECURED CONTROL.......................................................... 346
INSTRUMENT CONTROL MENUS –WINDOW.......................................................................... 347
INSTRUMENT CONTROL MENUS – HELP................................................................................ 348
ENHANCED DATA ANALYSIS MENUS – FILE ......................................................................... 349
ENHANCED DATA ANALYSIS MENUS –METHOD .................................................................. 350
ENHANCED DATA ANALYSIS MENUS – CHROMATOGRAM..................................................... 351
ENHANCED DATA ANALYSIS MENUS – SPECTRUM ............................................................... 352
ENHANCED DATA ANALYSIS MENUS – CALIBRATE .............................................................. 353
ENHANCED DATA ANALYSIS MENUS – QUANTITATE............................................................ 354
ENHANCED DATA ANALYSIS MENUS – TOOLS...................................................................... 355
ENHANCED DATA ANALYSIS MENUS – VIEW ....................................................................... 356
ENHANCED DATA ANALYSIS MENUS – TOOLBARS ............................................................... 357
ENHANCED DATA ANALYSIS MENUS – HELP........................................................................ 358