Analyst Software Reference Guide - AB Sciex

More documents

Recommendations

Info

Terms and ConceptsQuantitation Method EditorUse this option after you have acquired your sample and you want to:• Adjust peak-finding and integration parameters.• Select analyte and internal standard peaks.• Select calibration.You can use the Quantitation Method Editor to do three additional tasks:• Sum ions for integration.• Use an internal standard from a different period or experiment (if the internalstandard was acquired in a different period or experiment than the analyte).• Edit an existing method.The Semi-Automatic Method EditorThe Semi-Automatic Quantitation Method Editor is part of the Batch Editor. You can use theSemi-Automatic Quantitation Method Editor to select quantitation information, such as sampletype and sample concentration, prior to data acquisition. This preparation makes performingsubsequent quantitative analysis easier. Alternatively, you can select a full method in the BatchEditor, which is then automatically applied at the end of the batch run to generate the quantitationResults Table.Use this option when you:• Have not yet acquired any samples.• Want to select names and masses for analyte and internal standard peaks.• Want to select concentrations and sample types on the Quantitation tab in the BatchEditor, but do not have any other quantitation method.• Want to edit the quantitation method, if necessary, at a later time.Finding Peaks Using a Semi-Automatic MethodThe software uses the standard peak-detection process, with the following exceptions:• It uses the bunching factor (from the Quantitation Method Options dialog) and thenumber of smooths (from the Create Semi-Automatic Quantitation Method dialog) asis.• It uses the most concentrated standard as the representative sample. To establish aretention time, it uses the largest peak within that chromatogram.• To set noise and area thresholds, it uses the resulting baseline noise. (This processis identical to how the default values are set for peaks in normal methods.) Theseintegration parameters are applied to all other samples.• If the batch being examined does not contain quantitation information (sample typeand concentrations), the retention time and thresholds are calculated separately forevery peak (as for fully automatic methods).24 Release Date: August 2011
Software Reference GuideNoise and Area Threshold ParametersTo identify peaks, the software requires a set of noise and area threshold parameters. Thesoftware sets these parameters initially, but you can change them later. It sets the parameters asfollows:1. The software calculates the largest intensity difference between any two sequentialdata points. This number represents the difference between two intensities, not theactual intensity itself.2. For each sequential pair with an intensity difference of less than 5% of the valuecalculated in Step 1, it calculates the standard deviation (using a mean of zero) ofthe intensity differences. (The software does not use those pairs of points with anintensity difference larger than 5% of the maximum.)It sets the noise and area thresholds as follows:3. The noise threshold is equal to the standard deviation calculated in step 4.4. The area threshold is equal to five times the noise threshold.Note: The minimum value for both the noise and area thresholds is 0.000001. If thecalculations produce a value that is lower than this minimum, then the software resetsthe value of that threshold at 0.000001.Recalculating the Noise and Area ThresholdIf you define a new background area, the software recalculates the noise and area thresholds asfollows. For each sequential pair of data points, the software calculates the standard deviation,using a mean of zero, of the intensity difference. The Analyst software uses all points within theselected range because you are explicitly telling it that the selected area is background noise.It sets the noise and area thresholds as follows:1. The noise threshold is equal to the standard deviation calculated for the selectedrange.2. The area threshold is equal to five times the noise threshold.Note: The minimum value for both the noise and area thresholds is 0.000001. If thecalculations produce a value that is lower than this minimum, then the software resetsthe value of that threshold at 0.000001.Peak IntegrationThe following are integration types by which the baseline was found and integrated when thepeak was found.• Manual: The peak was manually integrated by the user.• Automatic: The peak was automatically integrated as follows:• Baseline-to-baseline: The peak area is defined by vertical droplines at thebeginning and end of the peak which extend to the baseline. This integrationtype is possible only for peaks that do not have another peak immediatelypreceding or following.Release Date: August 2011 25
Page 1: Analyst ® 1.6 SoftwareSoftware Ref
Page 5 and 6: ForewordThis software reference gui
Page 7 and 8: Terms and Concepts1Analyst Software
Page 9 and 10: Software Reference GuideAnalyst Ser
Page 11 and 12: Software Reference Guidesample or m
Page 13 and 14: Software Reference GuideThe calcula
Page 15 and 16: Software Reference GuideTable 1-3 T
Page 17 and 18: Software Reference GuideIn looped e
Page 19 and 20: Software Reference GuideIDA Methods
Page 21 and 22: Software Reference GuideTable 1-5 M
Page 23: Software Reference GuideWizardsTher
Page 27 and 28: Software Reference GuideFinding the
Page 29 and 30: Software Reference GuideIf, however
Page 31: Software Reference GuideFigure 1-10
Page 36 and 37: Terms and ConceptsThe slope is calc
Page 38 and 39: Terms and ConceptsTable 1-9 Acquisi
Page 40 and 41: Terms and ConceptsTable 1-11 Previe
Page 42 and 43: Terms and ConceptsFigure 1-14 Sampl
Page 44 and 45: Terms and ConceptsTable 1-12 Intern
Page 46 and 47: Terms and ConceptsTable 1-14 Result
Page 48 and 49: Terms and ConceptsTable 1-16 DAD Fi
Page 50 and 51: Terms and ConceptsTable 1-18 HPLC S
Page 52 and 53: Terms and ConceptsWeighting Factors
Page 54: PPG Exact Mass TableTable 2-1 PPG E

Analyst Software Reference Guide - AB Sciex

Create successful ePaper yourself

Delete template?

Save as template?