Displayed numeric precision
Mass precision 1
Retention time precision 1
Labeling
Label chromatogram peaks with Index
Unit disabled
Smoothing of chromatograms and mass spectra
Smoothing algorithm Savitzky Golay
Smoothing width (m/z) 0.2
Cycles 1
Replace original disabled
Use same color as original enabled
Disable original enabled
Baseline subtraction of mass spectra
Flatness (0-1): 0.8
Replace original disabled
Use same color as original enabled
Disable original enabled
General
XML compound export
Include detailed information disabled
Include peptide database query information enabled
Mascot compound export
Include peptide database query information enabled
Peptide Database Query
Global charge setting
Set global charge limitation: 2+ and 3+
Note: The global charge state setting applies to non-deconvoluted ions only.
This setting here will override any other setting in the Mascot search
parameter.
Export for 'MS/MS Search' and 'Peptide Mass Fingerprint' Mixed list (non-deconvoluted and deconvoluted)
Include S/N ratio and FWHM disabled
Normalize MS(n) data enabled
Export for 'MS/MS Search'
Prefer Full Scan spectrum deconvolution results to MaxRes results enabled
Export N most abundant non-deconvoluted ions of each MS(n) spectrum 50
Export for 'Peptide Mass Fingerprint'
Export N most abundant ions of each MS spectrum 2
deconvoluted and deconvoluted)
Chromatogram, MS(n)
Compound detection
S/N threshold 1
Area threshold Relative [%] 0.1
Intensity threshold Relative [%] 0.1
Skim ratio 0.1
Smoothing width 1
Mass spectrum calculation
Spectrum type (Line/Profile): Auto
Additional background subtraction:* (MS only) Peak start and end spectra
*) Note:'Constant' (Background mass spectrum) and 'Spectral' background subtraction is defined by the chromatogram trace definiti
AutoMS(n)
Compound detection
Intensity threshold, pos. 10000
Maximum number of compounds 250
Fragments qualified by Amino Acids disabled
Merge positive and negative compounds disabled
Retention time window for compound detection
Retention time window [min] 0.5
Mass spectrum calculation
Spectrum type (Line/Profile) Profile spectra only
Background subtraction (MS only) Peak start and end spectra
AutoMS(n) chromatogram traces
Create individual AutoMS(n) chromatogram traces enabled
Create additional detailed chromatogram traces disabled
Delete previously found compounds in selected range enabled
is defined by the chromatogram trace definition.
neg. 1000
Mass List Layout
Mass List
Peak Number (#)
Mass-to-Charge Ratio (m/z)
Intensity (I)
Full Width at Half Maximum (FWHM)
Signal-to-Noise Ratio (S/N)
Compound List Layout
Compound List
Peak Number (#)
Retention Time (RT)
Integration Type (Int. Type)
Peak Area (Area)
Peak Range (Range)
Selected peak finder algorithm:
Apex enabled
Centroid disabled
Apex
Peak width (FWHM) (m/z) 0.1
S/N threshold 1
Relative intensity threshold (base peak) 2%
Absolute intensity threshold 100
Exclusion Masses
Filter exclusion masses disabled
Interactive Mass List editing
Use peak finder to calculate peak position enabled
Proteins/large molecules disabled
Peptides/small molecules enabled
Peptides/Small Molecules
Adduct ions +H -H
Deconvolute
MS Full Scan ) enabled
MS MaxRes Scan
MS(n) enabled
Low mass 250 100 50 250 100 50
High mass 4000 3000 2000
Abundance cutoff [%] 10 2
Resolved-isotope deconvolution
Maximum charge 2 3 1
Allow precursor deconvolution from fragment spectra enabled
Note: License option for charge deconvolution of higher charge states not present.
General
Extend reconstructed mass envelope (profile spectra, only) disabled
Add before 0
Add after 0
Include shifted spectrum disabled
Include component details disabled
Retain residual disabled
Show component details and residual disabled
Clear previous results enabled
Create neutral spectrum (instead of singly charged spectrum) disabled
Exclusion mass ranges
No masses excluded