SIEVE User Guide

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A Understanding the ChromAlign Process Outlining the ChromAlign Process Outlining the ChromAlign Process Start with Original Chromatograms A and B Step 1 Align chromatograms roughly using Fast Fourier Transform (FFT) algorithm Step 2 Generate correlation matrix, (C (A, B)) Step 3 Create dynamic programming optimal path in C(A, B - ) and provide a final alignment After selecting samples and determining the control data set, send the control and sample chromatograms to be aligned with respect to the first control chromatogram. Step 1 of the ChromAlign process produces a crude alignment of the two chromatographic surfaces using a fast fourier transform algorithm to maximize the overlap of the chromatographic surfaces: FFT (A) (first control sample) FFT (B) (all other chromatograms) FFT -1 (FFT (B)xFFT (A)*) Crudely aligned, B - In step 2, SIEVE uses the full MS scan information to fully align all components (major as well as minor components of the samples) of the chromatographic surfaces. SIEVE uses dynamic programming to maximize the sum of all correlation co-efficients of peaks between time 0 and the end of the chromatogram. SIEVE completely aligns the chromatographic surfaces. 28 SIEVE User Guide Thermo Fisher
Starting the ChromAlign Process A Understanding the ChromAlign Process Starting the ChromAlign Process After you submit the data for analysis, SIEVE aligns the chromatographic profiles (using the base peak information only) using fast fourier transforms (FFTs) to provide a transformation-based correlation analysis between the two chromatograms (see Step 1). This alignment produces a correlation array showing exactly how much to shift the various chromatograms to align the major features. Figure 17 shows original chromatograms before the ChromAlign process begins. In Figure 17, the black trace is the trace of the control sample and the lighter (red) trace is the test sample. The ChromAlign process aligns the test sample to the control sample. Figure 17. Original chromatograms Abundance 0 50000 100000 150000 200000 0 20 40 60 80 Time (Min) Thermo Scientific SIEVE User Guide 29
Page 1 and 2: XCALI-97186 Revision B July 2007 Fo
Page 3 and 4: Contents Thermo Scientific SIEVE Us
Page 5 and 6: Preface SIEVE User Guide Viewing th
Page 7 and 8: Getting a License Getting a New Lic
Page 9 and 10: Installing a New License Code Once
Page 11 and 12: Overview to SIEVE SIEVE software pe
Page 13 and 14: About the SIEVE Procedure 1 Overvie
Page 15 and 16: Setting up a Procedure The followin
Page 17 and 18: 2. Click Get Started to display exp
Page 19 and 20: 2 Setting up a Procedure Starting a
Page 21 and 22: 10. Click Add to add the files to t
Page 23 and 24: Table 1. Set Parameters dialog box
Page 25 and 26: Tips for Improving the Process Anal
Page 27 and 28: Spotfire displays a screen similar
Page 29 and 30: 2 Setting up a Procedure Framing th
Page 31 and 32: 2. Make changes to the parameters a
Page 33 and 34: Viewing a Saved Experiment 2 Settin
Page 35: 2 Setting up a Procedure Viewing a
Page 40 and 41: A Understanding the ChromAlign Proc
Page 46 and 47: B Understanding the Framing Process
Page 49 and 50: Using Spotfire to View Analysis Res
Page 51 and 52: Spotfire Range Sliders Frame Detail
Page 53 and 54: Protein ID View C Using Spotfire to
Page 55: Table 4. Parameter definitions for
Page 58: Index: P P parameters framing 37 se

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