Welcome: an Introduction to this Site
NMRPipe: a Comprehensive Software System for Biomolecular NMR
Special Applications: NMR Drug Screening, Automation, and so on
Dipolar Couplings, Chemical Shifts, and Protein Structure
Miscellaneous

Frank's CV, Recent Slides, and Thesis

 

 

 

  Frank Delaglio, Ph.D.

  Software Science Consultant
  13840 Grey Colt Drive
  North Potomac MD 20878 USA


  Tel: 301 806-0867
  Fax: 301 309-8717
  E-mail: delaglio@nmrscience.com



NMRPipe Processing Functions
POLY: Polynomial Subtract for Time-Domain Solvent Correction and Frequency-Domain Baseline Correction.

Baseline Region Coordinates (Valid Units: Pts Hz ppm %):
Flag Argument Default Description
 -sx1 x1 1 Polynomial Subtraction Region Start.
 -sxn xn SIZE Polynomial Subtraction Region End.
 -fx1 y1 1 Initial Fit Region Start.
 -fxn yn SIZE Initial Fit Region End.
 -x1 y1 1 Sets -sx1 and -fx1.
 -xn yn SIZE Sets -sxn and -fxn.
 -nl list No Node List, Pts.
 -nw wide 1 Node Width +/- Pts.
Other Parameters:
 -ord pOrd 4 Polynomial Order.
 -nc cnt 0 Initial Fit Nodes.
 -first No Use First Points.
 -last No Use Last Points.
 -avg No Use Node Averages.
 -filt No Use Sine Filter. Requires -avg flag.
Time-Domain Correction for Solvent Subtraction:
 -time Uses these Defaults: -avg -nw 16 -fx1 NW+4 -nc SIZE/(2*NW+1)
Frequency-Domain Automated Baseline Correction:
 -auto No Auto Baseline.
 -window 8 Noise Analysis Window Length, Pts.
 -frac 0.33 Minimum Fraction of Data which is Baseline.
 -nf 1.5 Noise Adjustment Factor.
 -noise 0.0 RMS Noise Value. Default is Auto.
Fourier Series Correction (Not Implemented):
 -sine No Use Fourier Series.
 -p0 0.0 Zero Order Phase.
 -p1 0.0 First Order Phase.
Time Domain Adjustments:
 -noseq No Adjustment for Sequential Data.
 -nodmx No Adjustment for Digital Oversampled Data Data.
Time Domain Correction Notes:
  Sequential Data Is Adjusted Automatically.
  Digital Oversampled Data (Bruker DMX and JEOL Delta) Is Adjusted Automatically.

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last updated: Jan 22, 2009 / big frank

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