AMDIS操作说明

仪器资料 · 发表于 2018-1-3 18:43:46

AMDIS操作说明

Table of Contents
AMDIS — USER GUIDE i
1 Introduction 1
1.1 The AMDIS Program 1
1.2 How to Use This User Guide 1
1.3 Conventions Used in This User Guide 2
1.4 An Overview of Automated GC/MS Identification by Steve Stein 2
1.4.1 Background 2
1.4.2 Previous Work 3
1.4.3 Method 3
1.4.4 References 3
2 Getting Started 5
2.1 Introduction 5
2.2 Simultaneously Viewing AMDIS and its Help Window 5
2.3 Getting AMDIS into a Known State 5
2.4 Confirm Window and Results Window Overview 6
2.5 Confirm Window Appearance 6
2.5.1 Chromatogram Display 9
2.5.2 Profile Display 9
2.5.3 Information Lists 10
2.5.4 Mass Spectral Display 10
2.5.5 Changing the Display Range 11
2.6 Results Window Appearance 11
2.6.1 Control Panel 12
2.6.2 Information Lists 12
2.6.3 Information Tabs 13
2.7 Analysis Modes Overview 13
2.8 Analysis Mode - Simple 13
2.8.1 Searching the NIST Database 17
2.9 Analysis Mode - RI Calibration/Performance 17
2.10 Analysis Mode - Use RI Calibration Data 21
2.11 Analysis Mode - Use Internal Standards 25
2.12 Analysis Mode - Use RI Calibr. Data + Internal Std. 28
2.13 Analysis Mode - Performance Check 31
2.14 Recap 35
3 AMDIS Confirm Window 36
3.1 Introduction 36
3.2 Menu Bar 37
3.2.1 File Menu 38
3.2.2 Analyze Menu 45
3.2.3 Mode Menu 54
3.2.4 View Menu 55
3.2.5 Library Menu 58
3.2.6 Options Menu 59
3.2.7 Window Menu 63
3.2.8 Help Menu 64
3.3 Button Bar 64
3.3.1 Run 64
3.3.2 Rescale 64
3.3.3 Info 65
3.3.4 Arrowheads 65
3.3.5 Manual-On and Manual-Off 65
3.3.6 Deconv 65
3.4 Data Displays 65
3.4.1 Chromatogram Display 66
3.4.2 Profile Display 72
3.4.3 Information Lists 74
3.4.4 Mass Spectral Display 81
3.5 Display of Multiple Chromatograms 88
3.5.1 Multiple Chromatograms in Independent Windows 88
3.5.2 Two Chromatograms in One Window 89
4 AMDIS Results Window 90
4.1 Introduction 90
4.2 Control Panel 91
4.2.1 Analyze 92
4.2.2 Help 92
4.2.3 Done 92
4.2.4 Confirm 92
4.2.5 Print 93
4.2.6 Load Results 93
4.3 Information Lists 93
4.4 Information Tabs 94
5 Auxiliary Information 95
5.1 Introduction 95
5.2 Library Tab 96
5.3 Spectra Tab 96
5.4 Settings Tab 97
5.5 Standards Tab 97
5.5.1 External Standard Mode 97
5.5.2 Internal Standard Mode 98
5.6 QA/QC Tab 98
5.6.1 Results 99
5.6.2 Performance 100
5.7 S/N Tab 101
5.7.1 Signal 101
5.7.2 Noise 101
5.8 Options Tab 102
6 Analysis 103
6.1 Introduction 103
6.2 Analysis Types 103
6.2.1 Simple 104
6.2.2 RI Calibration/Performance 105
6.2.3 Use RI Calibration Data 105
6.2.4 Use Internal Standards 107
6.2.5 Use RI Calibr. Data + Internal Standards 108
6.2.6 Performance Check 109
6.3 Library Types 110
6.4 Analysis Settings 111
6.4.1 Identif. (Identification) Tab) 111
6.4.2 Instrument Tab 113
6.4.3 Deconv. (Deconvolution) Tab 114
6.4.4 Libraries 115
6.4.5 Quality Control (QA/QC Tab) 115
6.4.6 A Note on RI Calibration/Performance Analysis 116
7 Post Analysis Classification of Spectra 117
7.1 Postprocess 117
7.2 Structural Classifiers 117
7.3 CW Classifier (Chemical Weapons Related Classifiers) 117
7.4 Spectral Similarity 117
7.5 Compare Data Files 117
7.6 Varmuza Classification References 118
8 Library Development and Maintenance 119
8.1 Introduction to Libraries 119
8.2 Library Types 119
8.3 Library Editors 120
8.3.1 Build One Library 120
8.3.2 Library Transfer 120
8.4 Library Window Functions 121
8.4.1 Library Information and Display Options 121
8.4.2 Editing Options 121
8.4.3 Other Options 121
8.5 Compound and Spectra Editors 122
8.5.1 Compound Information Editor 122
8.5.2 Spectrum Editor 123
8.6 Setting up Calibration Files for Use with AMDIS 124
8.6.1 Create Calibration Library from a Data File 124
8.6.2 Create Library from NIST MS Database 125
8.7 Using the Performance Log Feature 125
8.8 Viewing the Library or Calibration 126
8.9 Format of Mass Spectral Transfer (MSP) Files 126
9 Batch Jobs 128
9.1 Create and Run Job 128
9.2 Show Results of Last Job 128
10 Manual Deconvolution 129
10.1 Overview of Manual Deconvolution 129
10.2 Background Subtraction 129
10.3 Manual Deconvolution 130
11 How Do I … ? 131
11.1 System Setup 131
11.1.1 How Do I Change the Settings for An Analysis? 131
11.1.2 How Do I Find Out What Settings Were Used for the Current Analysis? 131
11.2 Data Analysis 131
11.2.1 Analysis Without Retention Index Data (Simple Analysis) 131
11.2.2 Analysis With Retention Index Data 131
11.2.3 How Do I Examine an Old Analysis? 131
11.2.4 How Do I Use Data for Calibration and Performance Monitoring 132
11.2.5 How Do I Search the NIST Database with a Component? 132
11.3 Library Maintenance 132
11.3.1 How Do I Add Spectra to a Library? 132
11.3.2 How Do I Delete Spectra From a Library? 132
11.3.3 How Do I Edit Spectra or Compound Information in a Library? 132
11.4 Display Modification 133
11.4.1 How Do I Expand (Zoom) a Plot? 133
11.4.2 How Do I Switch Between Log and Linear Axis? 133
11.4.3 How Do I Change Colors and Weight of Lines? 133
11.4.4 How Do I Find the Exact Position of a Peak? 133
11.4.5 How Do I Show Components on a Plot? 133
11.4.6 How Do I Change the Data that is Shown or Printed About a Component? 133
12 Varmuza Compound Classification Analysis 134
13 Glossary 144
14 File Formats 145
14.1 CAL File 145
14.2 Report File 145
15 Contacts 146
15.1 Technical 146
15.2 Business 146