Essential FTIR™ 15th Edition
1. Contents
1. CONTENTS .................................................................................................. 2
2. PRODUCT OVERVIEW ................................................................................ 6
3. INSTALLATION ............................................................................................ 7
4. GETTING STARTED .................................................................................. 11
The Essential FTIR Main Window ........................................................................................................... 11
Workspaces ................................................................................................................................................. 13
Expanding / Zooming .............................................................................................................................. 17
Graphic Display Controls ........................................................................................................................ 17
File buttons .......................................................................................................................................... 19
Designates the previous spectrum in the Workspace as active ............................................................... 19
Designates the next spectrum in the Workspace as active ..................................................................... 19
Undo changes to the data ..................................................................................................................... 19
Allows you to change the color of the active spectrum (see Display menu in chapter four) ................. 19
Copies the active spectrum to the internal clipboard. This spectrum will then be available for pasting
into another Workspace ....................................................................................................................... 19
Pastes from the internal clipboard (not the Windows clipboard) ........................................................... 19
Creates a copy of the active spectrum in the current workspace - Cloning ............................................ 19
Save spectra to disk .............................................................................................................................. 19
Print the data window .......................................................................................................................... 19
Export the data window as a graphics file ............................................................................................. 19
Export the data in the window as data files ........................................................................................... 19
Display Limit buttons .......................................................................................................................... 20
Axis Navigation buttons ......................................................................................................................... 21
Display Type buttons .............................................................................................................................. 21
Creating and Working with Spectral Regions ......................................................................................... 27
5. THE ESSENTIAL FTIR MENUS ................................................................. 30
The File Menu ............................................................................................................................................. 31
The Display Menu ....................................................................................................................................... 38
Display ..................................................................................................................................................... 39
Color Table .............................................................................................................................................. 41
Data Colors .............................................................................................................................................. 41
Hide/Remove ........................................................................................................................................... 41
X-Axis Direction...................................................................................................................................... 42
X-Axis Fixed Limits ................................................................................................................................ 43
X-Axis Ticks ............................................................................................................................................ 43
Y-Axis Fixed Limits ................................................................................................................................ 44
Y-Axis Ticks ............................................................................................................................................ 44
一起下吧
www.yqdaw.com
3
Plot Labels ............................................................................................................................................... 45
Printing .................................................................................................................................................... 45
Reports ..................................................................................................................................................... 46
Display Modes ............................................................................................................................................. 47
The Options Menu ...................................................................................................................................... 50
Process Options........................................................................................................................................ 52
Limit Resolution Calculator ..................................................................................................................... 55
Storage Options........................................................................................................................................ 56
Repeat Sampling Options ........................................................................................................................ 57
File Associations ...................................................................................................................................... 58
Miscellaneous Options ............................................................................................................................. 58
The Tools Menu .......................................................................................................................................... 60
The Help Menu ........................................................................................................................................... 61
6. INSTRUMENTS: COLLECTING DATA FROM A SPECTROMETER ........ 64
Collecting Data ............................................................................................................................................ 64
The Collection Tab ..................................................................................................................................... 66
Process ......................................................................................................................................................... 67
Storage ......................................................................................................................................................... 67
Repeat Sampling ......................................................................................................................................... 67
7. PRINTING AND PRINT TEMPLATES ........................................................ 69
8. TOOLBOXES AND TOOLS........................................................................ 72
The Favorites .............................................................................................................................................. 73
The Data Toolbox ....................................................................................................................................... 77
File Browser ............................................................................................................................................. 77
Display Setup ........................................................................................................................................... 79
Batch File Conversion ............................................................................................................................. 80
File Conversion Example ......................................................................................................................... 81
Export To Multifile .................................................................................................................................. 83
File Finder ................................................................................................................................................ 86
Export Graphics ....................................................................................................................................... 87
Saved Workspaces ................................................................................................................................... 89
Header Information .................................................................................................................................. 89
Edit Title .................................................................................................................................................. 90
Audit Trail ............................................................................................................................................... 90
The Manipulations Toolbox ....................................................................................................................... 91
Zap ........................................................................................................................................................... 93
Manual Baseline Correction .................................................................................................................... 97
Auto Baseline Correction ......................................................................................................................... 99
一起下吧
www.yqdaw.com
4
Fit Baseline ............................................................................................................................................ 101
X-Shift ................................................................................................................................................... 104
Derivative .............................................................................................................................................. 106
Ratio ....................................................................................................................................................... 107
Interferogram to Spectrum (FFT / Ratio) ............................................................................................... 107
Subtract .................................................................................................................................................. 109
Smoothing .............................................................................................................................................. 110
Truncate ................................................................................................................................................. 111
Scale / Offset .......................................................................................................................................... 113
Interpolate / Decimate ............................................................................................................................ 113
Match Spectra ........................................................................................................................................ 114
The Conversions & Corrections Toolbox ................................................................................................ 116
Y-Unit Conversions ............................................................................................................................... 116
X-Unit Conversions ............................................................................................................................... 117
Advanced ATR Correction .................................................................................................................... 118
Kramers-Kronig ..................................................................................................................................... 120
Raman Shift ........................................................................................................................................... 120
Normalization ........................................................................................................................................ 120
The Analysis Toolbox ............................................................................................................................... 122
Integrate ................................................................................................................................................. 123
Peak Picking .......................................................................................................................................... 125
Manual Peak Picking ............................................................................................................................. 128
Measure Peaks ....................................................................................................................................... 131
Data Point Picker ................................................................................................................................... 133
Signal to Noise Calculator ..................................................................................................................... 134
The Quant & Identification Toolbox ...................................................................................................... 135
Spectral Library Search.......................................................................................................................... 135
Interpreting Library Search Results .................................................................................................. 135
User Libraries .................................................................................................................................... 135
Commercial Libraries ....................................................................................................................... 136
The Spectral Library Search tool ...................................................................................................... 136
Search Samples ............................................................................................................................ 137
Browse Library Contents.............................................................................................................. 137
Browse Peaks ............................................................................................................................... 138
Search Text ................................................................................................................................... 139
The Libraries tab ............................................................................................................................... 140
Install Library ............................................................................................................................... 140
The Results Tab ................................................................................................................................ 141
Settings and Regions ......................................................................................................................... 143
The Search Options ...................................................................................................................... 143
The Report Options ...................................................................................................................... 143
Search Algorithm ......................................................................................................................... 143
First Derivative Search ................................................................................................................. 144
Region Searching ......................................................................................................................... 145
Folders of Spectra used as Search Libraries ...................................................................................... 145
FDM Library Search .............................................................................................................................. 147
QC Compare .......................................................................................................................................... 148
Beers Law Quant ................................................................................................................................... 151
Background ....................................................................................................................................... 151
Developing a Method ........................................................................................................................ 151
Selection of Wavelengths ............................................................................................................. 152
Calibration using the standards .................................................................................................... 152
Measurement of Samples of Unknown Concentrations ............................................................... 153
一起下吧
www.yqdaw.com
5
Tutorial .............................................................................................................................................. 153
The Methods tab ........................................................................................................................... 154
The Methods tab buttons .............................................................................................................. 154
Method Saving Options ................................................................................................................ 154
The Analytes tab ............................................................................................................................... 155
The Analytes tab buttons .............................................................................................................. 155
The Spectra tab.................................................................................................................................. 156
The Spectra tab buttons ................................................................................................................ 156
The Pre-Processing tab ...................................................................................................................... 158
The Pre-Processing buttons .......................................................................................................... 158
The Pre-Processing Dialog ........................................................................................................... 159
The Regions tab ................................................................................................................................ 159
The Regions Buttons .................................................................................................................... 159
Assigning regions to an analyte .................................................................................................... 160
The Validation Tab ........................................................................................................................... 163
The validation buttons .................................................................................................................. 163
The Batch Predict tab ........................................................................................................................ 165
The Batch Predict buttons ............................................................................................................ 166
The Settings tab ................................................................................................................................. 167
Partial Least Squares (PLS) ................................................................................................................... 168
Classical Least Squares (CLS) ............................................................................................................... 169
Custom Quant Application .................................................................................................................... 170
The Synthesize / Edit Data Toolbox ........................................................................................................ 174
Add Peaks to Data.................................................................................................................................. 174
Average / Add ........................................................................................................................................ 176
Edit Data ................................................................................................................................................ 177
Artificial Spectra .................................................................................................................................... 178
Blackbody Spectra ................................................................................................................................. 180
Change Header Fields ............................................................................................................................ 181
The Advanced Toolbox ............................................................................................................................ 182
Batch Processor...................................................................................................................................... 182
Editing Batch Sequences ................................................................................................................... 184
The Tools list .................................................................................................................................... 184
The Sequence window ...................................................................................................................... 184
The Settings and Regions window .................................................................................................... 185
Batch processing options................................................................................................................... 185
User Scripts ............................................................................................................................................ 187
Calculator ............................................................................................................................................... 189
Common Error Messages ............................................................................................................. 192
9. TUTORIAL ................................................................................................ 193
Data Acquisition ....................................................................................................................................... 193
Processing the Data .................................................................................................................................. 195
Automating the Processing Steps ............................................................................................................ 198
10. INDEX ................................................................................................... 202
游客，本帖隐藏的内容需要积分高于 10 才可浏览，您当前积分为 0 | 
收藏
