Processing Operations

These commands are used to control the Processor. The run command is always needed at the end of the script.
The actual sequence of processing operations is automatically parallelized and run on multiple processing cores. For example, a MacBook Pro might have an Intel i7 processor with 4 cores. Each of those cores is "hyperthreaded" so in total the CPU appears to the operating system (and NVFx's Java code) as if it can run 8 simultaneous operations. The sequence of operations would therefore be replicated 8 times, and each sequence would get a subset of the total vectors that need to be processed. The commands in this section allow the user to override the default setup and explicitly specify the number of "simultaneous" processes to run, and what size chunk of vectors they should each grab.

procOpts

Set and get various options in the Processor

  • nprocess The number of processes to run simultaneously. Defaults to number of cpu cores (x2 with hyper-threaded)
    • default : None
    • optional : True
  • nvectors The number of vectors each process should grab at one time.
    • default : None
    • optional : True

run

Execute the series of operations that have been added to processor. Return true if it executed successfully. The run command must be present at the end of processing operations or no processing will happen.

Operations

Operations are commands that are applied to individual vectors loaded from data files. Generally these will be applied to all the vectors in each dimension of the dataset. Some of the commands (TDCOMB and COMB) operate on a set of vectors and create a new set of vectors. The processing engine automatically reads and writes vectors from the dataset and executes the sequence of operations on the vectors.

ADD

Add value to the vector at all points between first and last, where value can either be an integer (real) or a complex number written as (1.0 + 3j).

ADD(value=0j,first=0,last=-1)

  • value The value to add to each data point.
    • default : 0j
    • optional : True
  • first The first point of the vector to add to.
    • default : 0
    • min : 0
    • max : size - 1
    • optional : True
  • last The last point of the vector to add to.
    • default : -1
    • min : -1
    • max : size - 1
    • optional : True

AUTOPHASE

Auto Phase shift.

AUTOPHASE(firstOrder=False,maxMode=False,winSize=2,ratio=25.0,mode=flat,ph1Limit=45.0)

  • firstOrder Do first order phase correction.
    • default : False
    • optional : True
  • maxMode Autophase by maximizing positive signal.
    • default : False
    • optional : True
  • winSize Size of each half of window used in doing CWTD. Full window is 2 x this value.
    • default : 2
    • min : 1
    • max : 32
    • optional : True
  • ratio Ratio relative to noise used in determining if region is signal or baseline.
    • default : 25.0
    • min : 1.0
    • max : 100.0
    • optional : True
  • mode Name of algorithm to use.
    • default : flat
    • optional : True
  • ph1Limit Limit ph1 value so its absolute value is less than this range.
    • default : 45.0
    • min : 1.0
    • max : 100.0
    • optional : True

AUTOREGIONS

Baseline correction using a polynomial fit.

AUTOREGIONS(mode=sdev,winSize=16,minBase=12,ratio=10.0)

  • mode Specify the mode for auto identifying baseline regions.
    • default : sdev
    • optional : True
  • winSize Size of window used in searching for baseline regions;
    • default : 16
    • min : 4
    • max : 256
    • optional : True
  • minBase Baseline regions must be at least this big;
    • default : 12
    • min : 4
    • max : 256
    • optional : True
  • ratio Ratio relative to noise used in determining if region is signal or baseline.
    • default : 10.0
    • min : 1.0
    • max : 100.0
    • optional : True

BCMED

Correct the baseline of the vector using the median method.

BCMED(frac=0.1,wrap=False)

  • frac window size is set by multiplying frac times the number of extrema in the vector
    • default : 0.1
    • min : 0.001
    • max : 0.50
    • optional : True
  • wrap Wrap baseline fit around edge of spectrum.
    • default : False
    • optional : True

BCPOLY

Baseline correction using a polynomial fit.

BCPOLY(order=2,winSize=16)

  • order Order of the polynomial used in fit;
    • default : 2
    • min : 1
    • max : 8
    • optional : True
  • winSize Size of window used in searching for baseline regions;
    • default : 16
    • min : 4
    • max : 256
    • optional : True

BCSINE

Baseline correction using a sine curve.

BCSINE(regionstype=pts,invert=False,order=1,winSize=16,ratio=0.0)

  • regions Specify the points of the vector to perform baseline correction on.
    • default : None
    • optional : True
  • type Specify the units for the region values.
    • default : pts
    • optional : True
  • invert Specify the boundary of peaks instead of the baseline.
    • default : False
    • optional : True
  • order Order of the polynomial used in fit;
    • default : 1
    • min : 1
    • max : 8
    • optional : True
  • winSize Size of window used in searching for baseline regions;
    • default : 16
    • min : 4
    • max : 256
    • optional : True
  • ratio Ratio relative to noise used in determining if region is signal or baseline.
    • default : 0.0
    • min : 1.0
    • max : 100.0
    • optional : True

BCWHIT

Baseline correction using a smoother.

BCWHIT(lamb=5000,order=1,baseline=False)

  • lamb Parameter controlling how close the fit to the baseline should be
    • default : 5000
    • min : 1000.0
    • max : 20000.0
    • optional : True
  • order Order of the polynomial used in fit;
    • default : 1
    • min : 1
    • max : 2
    • optional : True
  • baseline If true, return the calculated baseline, rather than the corrected vector
    • default : False
    • optional : True

BUCKET

The vector is bucketed by adding adjacent data points. The vector size after this operation will be equal to the specified number of buckets. The original vector size must be a multiple of the number of buckets. Each resulting data point will represent the sum of winSize data points where winSize is equal to size/nBuckets

BUCKET(buckets=256)

  • buckets Number of buckets to place data points into. Vector size must be a multiple of this number.
    • default : 256
    • min : 0
    • max : size
    • optional : True

BZ

Zero Bruker DSP baseline and associated algorithms: sim, ph, dspph, chop.

BZ(alg=ph,phase=0.0,scale=1.0)

  • alg Algorithm to correct Bruker DSP artifact.
    • default : ph
    • optional : True
  • phase Phase adjust (sim, ph only).
    • default : 0.0
    • min : -180
    • max : 180
    • optional : True
  • scale Scale factor (sim only).
    • default : 1.0
    • min : -1
    • max : 3
    • optional : True

COMB

combine inVec and outVec with a list of coefficients

COMB(coef)

  • coef How to combine data rows with different phases.
    • default : None
    • optional : True

CSHIFT

Circular shift of the data points in the vector by the specified amount.

CSHIFT(shift=0)

  • shift Amount of points to shift the vector by.
    • default : 0
    • min : -2048
    • max : 2048
    • optional : True

CWTD

Continuous Wavelet Transform Derivative.

CWTD(winSize=32)

  • winSize Size of the window.
    • default : 32
    • min : 1
    • max : 1024
    • optional : True

DC

Shifts the spectrum so edges are centered. DC Offset.

DC(fraction=0.05)

  • fraction The fraction of points from the beginning and end of a spectrum that will be used to create the offset.
    • default : 0.05
    • min : 0
    • max : .33
    • optional : True

DCFID

Correct DC offset of FID real and imaginary channels

DCFID(fraction=0.06)

  • fraction Fraction of end of FID to average to calculate offset
    • default : 0.06
    • min : 0.01
    • max : 0.25
    • optional : True

DGRINS

Experimental GRINS.

DGRINS(noise=5)

  • noise Noise estimate
    • default : 5
    • optional : True

DPHASE

Auto Phase shift.

DPHASE(dim=0,firstOrder=False,winSize=2,ratio=25.0,ph1Limit=45.0)

  • dim Dataset dimension to phase. (0 does all dimensions)
    • default : 0
    • optional : True
  • firstOrder Do first order phase correction.
    • default : False
    • optional : True
  • winSize Size of each half of window used in doing CWTD. Full window is 2 x this value.
    • default : 2
    • min : 1
    • max : 32
    • optional : True
  • ratio Ratio relative to noise used in determining if region is signal or baseline.
    • default : 25.0
    • min : 1.0
    • max : 100.0
    • optional : True
  • ph1Limit Limit ph1 value so its absolute value is less than this range.
    • default : 45.0
    • min : 1.0
    • max : 100.0
    • optional : True

DX

Numerical Derivative.

DX()

EA

Do echo-anti echo combination

EA()

ESMOOTH

Envelope smoothing.

ESMOOTH(winSize=256,lambd=5000,order=2,baseline=False)

  • winSize Size of the window
    • default : 256
    • optional : True
  • lambd Parameter controlling how close the fit to the baseline should be
    • default : 5000
    • min : 1000.0
    • max : 50000.0
    • optional : True
  • order Parameter controlling the order of the baseline fit
    • default : 2
    • min : 1
    • max : 2
    • optional : True
  • baseline If true, return the calculated baseline, rather than the corrected vector
    • default : False
    • optional : True

EXP

Exponential Calculation of a Vector. Each point is updated with the exponential value of the point .

EXP()

EXPD

Exponential Decay Apodization.

EXPD(lb=1.0,fPoint=1.0)

  • lb Line broadening factor.
    • default : 1.0
    • min : 0.0
    • max : 20.0
    • optional : True
  • fPoint First point multiplication.
    • default : 1.0
    • min : 0.5
    • max : 1.0
    • optional : True

EXTRACT

Extract a specified range of points.

EXTRACT(start=0,end=0,mode=left)

  • start Start point of region to extract
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • end End point of region to extract
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • mode Extract a named region (left,right,all,middle) instead of using start and end points
    • default : left
    • optional : True

FDSS

Frequency Domain Solvent Suppression.

FDSS(center=0.0f,start=0.005f,end=0.015f,autoCenter=False)

  • center Position of frequency to suppress. Default is in fractional units with zero at center..
    • default : 0.0f
    • min : -0.5
    • max : 0.5
    • optional : True
  • start The beginning of the peak.
    • default : 0.005f
    • min : 0.00
    • max : 0.010
    • optional : True
  • end The end of the peak.
    • default : 0.015f
    • min : 0.00
    • max : 0.02
    • optional : True
  • autoCenter Find the largest peak in spectrum and center on that.
    • default : False
    • optional : True

FILTER

Generic filter, type is notch or lowpass.

FILTER(type=notch,offset=0,width=0.05,factor=4,groupFactor=8,mode=zero)

  • type Filter type.
    • default : notch
    • optional : True
  • offset Frequency offset in fraction of sw.
    • default : 0
    • min : -0.5
    • max : 0.5
    • optional : True
  • width Notch width in fraction of sw (notch only).
    • default : 0.05
    • min : 0.01
    • max : 0.09
    • optional : True
  • factor Decimation factor (lowpass only).
    • default : 4
    • min : 3
    • max : 20
    • optional : True
  • groupFactor Filter sharpness.
    • default : 8
    • min : 4
    • max : 40
    • optional : True
  • mode Filter type.
    • default : zero
    • optional : True

FT

Fourier Transform.

FT(negateImag=False,negatePairs=False,auto=False)

  • negateImag Negate imaginary values before the FT
    • default : False
    • optional : True
  • negatePairs Negate alternate complex real/imaginary values before the FT
    • default : False
    • optional : True
  • auto Determine negatePairs from FID parameters
    • default : False
    • optional : True

GAPSMOOTH

Solvent suppression by removing signal and filling the gap with a smoothing function.

GAPSMOOTH(center=-1,start=-1,end=-1,autoCenter=False)

  • center Center point of the solvent peak.
    • default : -1
    • optional : True
  • start Beginning point of the solvent peak.
    • default : -1
    • optional : True
  • end End point of the solvent peak.
    • default : -1
    • optional : True
  • autoCenter Find largest peak in spectrum and set that as center
    • default : False
    • optional : True

GEN

Generate a simulated signal and add it to the vector.

GEN(freq=100.0,lw=1.0,amp=50.0,phase=0.0)

  • freq Frequency in Hz.
    • default : 100.0
    • min : -500
    • max : 500.0
    • optional : True
  • lw Linewidth in Hz.
    • default : 1.0
    • min : 0
    • max : 10.0
    • optional : True
  • amp Amplitude of signal.
    • default : 50.0
    • min : 0
    • max : 100.0
    • optional : True
  • phase Phase of signal in degrees.
    • default : 0.0
    • min : -180
    • max : 180.0
    • optional : True

GF

Lorentz-to-Gauss.

GF(gf=1.0,gfs=1.0,fPoint=1.0)

  • gf gf: Gaussian broadening
    • default : 1.0
    • min : 0.0
    • max : 20.0
    • optional : True
  • gfs gfs: Gaussian center
    • default : 1.0
    • min : 0.0
    • max : 1.0
    • optional : True
  • fPoint fpoint: First point multiplier
    • default : 1.0
    • min : 0.0
    • max : 1.0
    • optional : True

GM

Lorentz-to-Gauss.

GM(g1=1.0,g2=1.0,g3=0.0,fPoint=1.0)

  • g1 g1: Exponential line narrowing
    • default : 1.0
    • min : 0.0
    • max : 20.0
    • optional : True
  • g2 g2: Gaussian broadening
    • default : 1.0
    • min : 0.0
    • max : 20.0
    • optional : True
  • g3 g3: Gaussian center
    • default : 0.0
    • min : 0.0
    • max : 1.0
    • optional : True
  • fPoint fpoint: First point multiplier
    • default : 1.0
    • min : 0.0
    • max : 1.0
    • optional : True

GMB

Gauss Broaden Window.

GMB(gb=0.0,lb=0.0,fPoint=1.0)

  • gb Gaussian Broadening Coefficient.
    • default : 0.0
    • min : 0.0
    • max : 1.0
    • optional : True
  • lb Line broadening.
    • default : 0.0
    • min : -20.0
    • max : 20.0
    • optional : True
  • fPoint Factor multiplied with the first point.
    • default : 1.0
    • min : 0.0
    • max : 1.0
    • optional : True

GRINS

Experimental GRINS.

GRINS(noise=5,scale=1.0,preserve=False,synthetic=False,phaselogToFile=False)

  • noise Noise estimate
    • default : 5
    • min : 1.0
    • max : 100.0
    • optional : True
  • scale Parabola to Lorentzian scale
    • default : 1.0
    • min : 0.2
    • max : 2.0
    • optional : True
  • preserve Add fitted signals to the residual signal (rather than replacing it)
    • default : False
    • optional : True
  • synthetic Replace measured values with synthetic values.
    • default : False
    • optional : True
  • phase Array of phase values, 2 per indirect dimension.
    • default : None
    • optional : True
  • logToFile Write log files containing information about progress of NESTA.
    • default : False
    • optional : True

HFT

Hilbert Transform

HFT()

IFT

Inverse Fourier Transform

IFT()

IMAG

Set the real values equal to the imaginary values and discard the rest.

IMAG()

INTEGRATE

Set the signal equal to its integral. int : first First point of integration region int : last Last point of integration region

INTEGRATE()

IST

Iterative Soft Threshold.

IST(threshold=0.98,iterations=500,alg=std,timeDomain=True,ph0ph1adjustThreshold=False,all=False)

  • threshold Values above this threshold (multiplied times largest peak) are transfered to IST add buffer.
    • default : 0.98
    • min : 0.89
    • max : 0.99
    • optional : True
  • iterations Number of iterations to perform.
    • default : 500
    • min : 1
    • max : 2000
    • optional : True
  • alg Name of algorithm to use.
    • default : std
    • optional : True
  • timeDomain Is the end result of the operation in time domain
    • default : True
    • optional : True
  • ph0 Apply this zero order phase correction to data before IST.
    • default : None
    • min : -360.0
    • max : 360.0
    • optional : True
  • ph1 Apply this first order phase correction to data before IST.
    • default : None
    • min : -360.0
    • max : 360.0
    • optional : True
  • adjustThreshold Adjust threshold during IST calculation
    • default : False
    • optional : True
  • all Replace all values in FID (including actually sampled)
    • default : False
    • optional : True

ISTMATRIX

Iterative Soft Threshold for 2D Matrix.

ISTMATRIX(threshold=0.9,iterations=500,alg=std,phase)

  • threshold Values above this threshold (multiplied times largest peak) are transfered to IST add buffer.
    • default : 0.9
    • min : 0.1
    • max : 1.0
    • optional : True
  • iterations Number of iterations to perform.
    • default : 500
    • min : 1
    • max : 1000
    • optional : True
  • alg Name of algorithm to use.
    • default : std
    • optional : True
  • phase Array of phase values, 2 per indirect dimension.
    • default : None
    • optional : True

LP

Extend the vector using Linear Prediction. Forward or backward linear prediction can be done. If both are specified then both are done and coefficients averaged (forward-backward LP).

LP(fitStart=0,fitEnd=0,predictStart=0,predictEnd=0,npred=0,ncoef=0,threshold=5,backward=True,forward=True,mirror)

  • fitStart First point used in fit. Defaults to 0 or 1 (depending on forward/backward mode) if 0;
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • fitEnd Last point used in fit. Defaults to size-1 if 0.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • predictStart Position of first predicted point. Defaults to size if 0.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • predictEnd Position of last predicted point. Defaults to 2*size-1 if 0.
    • default : 0
    • min : 0
    • max : size*2-1
    • optional : True
  • npred Number of points to predict, only used if predictEnd is 0.
    • default : 0
    • min : 0
    • max : size*2-1
    • optional : True
  • ncoef Number of coefficients. Defaults to size/2 if 0.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • threshold Threshold of singular values used in keeping coefficients. Check this??
    • default : 5
    • min : 4
    • max : 10
    • optional : True
  • backward Do backwards linear prediction.
    • default : True
    • optional : True
  • forward Do forwards linear prediction.
    • default : True
    • optional : True
  • mirror Do mirror image linear prediction.
    • default : None
    • optional : True

LPR

Replace starting points of the vector using Linear Prediction. Forward or backward linear prediction can be done. If both are specified then both are done and coefficients averaged (forward-backward LP).

LPR(fitStart=0,fitEnd=0,predictStart=0,predictEnd=0,npred=0,ncoef=0,threshold=5,backward=True,forward=True)

  • fitStart First point used in fit. Defaults to 0 if 0;
    • default : 0
    • min : 1
    • max : size-1
    • optional : True
  • fitEnd Last point used in fit. Defaults to size-1 if 0.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • predictStart Position of first predicted point. Defaults to 0 if < 0.
    • default : 0
    • min : 0
    • max : size/4
    • optional : True
  • predictEnd Position of last predicted point. Defaults to 0 if 0.
    • default : 0
    • min : 0
    • max : size/4
    • optional : True
  • npred Number of points to predict, only used if predictEnd is 0.
    • default : 0
    • min : 0
    • max : size*2-1
    • optional : True
  • ncoef Number of coefficients. Defaults to size/2 if 0.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • threshold Threshold of singular values used in keeping coefficients. Value used is 10^-threshold
    • default : 5
    • min : 3
    • max : 10
    • optional : True
  • backward Do backwards linear prediction.
    • default : True
    • optional : True
  • forward Do forwards linear prediction.
    • default : True
    • optional : True

MAG

Magnitude Calculation of a Vector. Each point is updated with its Complex magnitude.

MAG()

MEASURE

Measures regions in spectrum.

MEASURE(key=measures_,map)

  • key Prefix to key used to store measure values in a map (dictionary). Key will have vector row appended.
    • default : measures_
    • optional : True
  • map Map in which to store results. If not specified (or = None) the default map will be used. Get the default map with "getMeasureMap()"
    • default : None
    • optional : True

MULT

Multiply the points in a vector by a Real or Complex number.

MULT(value=(1+0j),first=0,last=-1)

  • value Number to multiply the points by.
    • default : (1+0j)
    • optional : True
  • first Points starting from this will be multiplied by value. Default is 0.
    • default : 0
    • min : 0
    • max : size - 1
    • optional : True
  • last Last point to multiply the data by. Default is the end of the vector.
    • default : -1
    • min : -1
    • max : size - 1
    • optional : True

NESTA

Experimental implementation of NESTA algorithm for NUS processing. This version requires that the data be in-phase. Use the phase argument to provide a list of phase values.

NESTA(iterations=30,tolFinal=6,muFinal=3,phaselogToFile=False,zeroAtStart=True)

  • iterations Number of iterations to perform.
    • default : 30
    • min : 1
    • max : 100
    • optional : True
  • tolFinal Final tolerance for inner iterations is 10 raised to the negative of this number. For example, 5 gives 1.0e-5.
    • default : 6
    • min : 0
    • max : 10
    • optional : True
  • muFinal Final mu value is 10 raised to the negative of this number. For example, 5 gives 1.0e-5.
    • default : 3
    • min : -2
    • max : 9
    • optional : True
  • phase Array of phase values, 2 per indirect dimension.
    • default : None
    • optional : True
  • logToFile Write log files containing information about progress of NESTA.
    • default : False
    • optional : True
  • zeroAtStart Set unsampled values to zero at start of operation
    • default : True
    • optional : True

NESTA_EX_SCR

NUS Processing with external NESTANMR program.

NESTA_EX_SCR(iterations=30,execName=)

  • iterations Number of iterations to perform.
    • default : 30
    • min : 1
    • max : 2000
    • optional : True
  • execName Full path to NESTANMR executable.
    • default :
    • optional : True

NESTA_L0_EXT

NUS Processing with external NESTANMR program.

NESTA_L0_EXT(iter=5000,scaling=0.98,cutoff=0.1,rootdir=,nestdir=nestaL0,schedFile=,phase)

  • iter Number of iterations to perform.
    • default : 5000
    • min : 1
    • max : 6000
    • optional : True
  • scaling Scaling of threshold at each iteration.
    • default : 0.98
    • min : 0.94
    • max : 0.99
    • optional : True
  • cutoff Stop iterations when threshold is at this value
    • default : 0.1
    • min : 0.1
    • max : 0.5
    • optional : True
  • rootdir Root directory for NESTA working files. If empty, defaults to directory of FID.
    • default :
    • optional : True
  • nestdir Sub- directory for NESTA working files.
    • default : nestaL0
    • optional : True
  • schedFile Schedule file. If empty, it defaults to value stored in FID file object.
    • default :
    • optional : True
  • phase Array of phase values, 2 per indirect dimension.
    • default : None
    • optional : True

NESTA_L1_EXT

NUS Processing with external NESTANMR program.

NESTA_L1_EXT(iter=30,rwiter=1,rootdir=,nestdir=nestaL1,schedFile=,phase)

  • iter Number of iterations to perform.
    • default : 30
    • min : 1
    • max : 200
    • optional : True
  • rwiter Number of re-weighted iterations to perform.
    • default : 1
    • min : 1
    • max : 20
    • optional : True
  • rootdir Root directory for NESTA working files. If empty, defaults to directory of FID.
    • default :
    • optional : True
  • nestdir Sub- directory for NESTA working files.
    • default : nestaL1
    • optional : True
  • schedFile Schedule file. If empty, it defaults to value stored in FID file object.
    • default :
    • optional : True
  • phase Array of phase values, 2 per indirect dimension.
    • default : None
    • optional : True

ONES

Set all points in a vector to 1.0

ONES()

PHASE

Phase shift.

PHASE(ph0=0.0,ph1=0.0,dimag=False)

  • ph0 Zero order phase value
    • default : 0.0
    • min : -360.0
    • max : 360.0
    • optional : True
  • ph1 First order phase value
    • default : 0.0
    • min : -360.0
    • max : 360.0
    • optional : True
  • dimag Discard imaginary values
    • default : False
    • optional : True

POWER

Power Calculation of a Vector. Each point is updated with its power value.

POWER()

PRINT

Print vector.

PRINT()

RAND

Set all points in a vector to a uniformly distributed random number between 0.0 and 1.0.

RAND()

RANDN

Add a Gaussian to a vector.

RANDN(mean=0.0,stdev=1.0,seed=0)

  • mean Mean of the Gaussian.
    • default : 0.0
    • min : 0.0
    • max : 100.0
    • optional : True
  • stdev Standard deviation of the Gaussian.
    • default : 1.0
    • min : 0.1
    • max : 100.0
    • optional : True
  • seed Seed for the RNG.
    • default : 0
    • min : 0
    • optional : True

RANGE

Sets the values in the vector from first to last inclusive to either the specified value (which can be real or complex (written as 1.0 + 3j) or Double Min or Double Max.

RANGE(value=0j,first=0,last=-1,max=False,min=False)

  • value Vector will have this value from the 'first' to 'last' elements
    • default : 0j
    • optional : True
  • first The first point of the vector to set.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • last The last point of the vector to set.
    • default : -1
    • min : -1
    • max : size-1
    • optional : True
  • max Set the value to Double.MAX (instead of min or value). If True, overrides value.
    • default : False
    • optional : True
  • min Set the value to Double.MIN (instead of max or value). If True, overrides value.
    • default : False
    • optional : True

REAL

Make the vector real, discarding the imaginary part

REAL()

REGIONS

Baseline correction using a polynomial fit.

REGIONS(regionstype=frac,signal=False)

  • regions Specify the points of the vector to perform baseline correction on.
    • default : None
    • optional : True
  • type Specify the units for the region values.
    • default : frac
    • optional : True
  • signal Specify the boundary of peaks instead of the baseline.
    • default : False
    • optional : True

REVERSE

Reverse points in a vector

REVERSE()

RFT

Real fourier transform

RFT(inverse=False)

  • inverse True if inverse RFT, False if forward RFT.
    • default : False
    • optional : True

SB

Sine Bell Apodization

SB(offset=0.5,end=1.0,power=2.0,c=1.0,apodSize=0)

  • offset Offset of sine window.
    • default : 0.5
    • min : 0.0
    • max : 0.5
    • optional : True
  • end End value of sine window argument.
    • default : 1.0
    • min : 0.5
    • max : 1.0
    • optional : True
  • power Exponential power.
    • default : 2.0
    • min : 1.0
    • max : 2.0
    • optional : True
  • c First point multiplier.
    • default : 1.0
    • min : 0.5
    • max : 1.0
    • optional : True
  • apodSize Size of apodization window. Default 0f 0 uses entire FID.
    • default : 0
    • min : 0
    • max : size
    • optional : True

SCHEDULE

Sets a sample schedule for a 1D vector and zeros points not on schedule. Used for testing IST.

SCHEDULE(fraction=0.05,endOnly=False,fileName=)

  • fraction The fraction of points that are collected. Ignored if fileName specified.
    • default : 0.05
    • min : 0.05
    • max : 1.0
    • optional : True
  • endOnly If true, only zero values at end of vector
    • default : False
    • optional : True
  • fileName Name of the schedule file to open if set.
    • default :
    • optional : True

SCRIPT

Execute a Python script as an Operation. Current vector is available as object named "vec".

SCRIPT(script=,initialScript=,encapsulate=False)

  • script The script that will be run on each Vec at the stage in the processing queue.
    • default :
    • optional : True
  • initialScript Any initial declarations that will be executed on initialization.
    • default :
    • optional : True
  • encapsulate Whether the interpreter should persist between evaluations or be reinitialized for each evaluation.
    • default : False
    • optional : True

SHIFT

Left or right shift of the data points in the vector by the specified amount.

SHIFT(shift=1)

  • shift Amount of points to shift the vector by.
    • default : 1
    • min : -16
    • max : 16
    • optional : True

SIGN

Change sign of values

SIGN(mode=i)

  • mode What elements of vector to change .
    • default : i
    • optional : True

SQRT

Sqrt Calculation of a Vector. Each point is updated with its square root.

SQRT()

TDCOMB

combine complex inVec and outVec time domain vectors using a list of coefficients

TDCOMB(dim=2,coef)

  • dim Indirect dimension of dataset to combine vectors in. Use 2 for 2D, 2 or 3 for 3D, etc.
    • default : 2
    • optional : True
  • coef How to combine data rows with different phases.
    • default : None
    • optional : True

TDPOLY

Time Domain Polynomial.

TDPOLY(order=4,winSize=32,start=0)

  • order Order of the polynomial.
    • default : 4
    • min : 1
    • max : 10
    • optional : True
  • winSize Size of the window
    • default : 32
    • min : 1
    • max : size-1
    • optional : True
  • start First point
    • default : 0
    • min : 0
    • max : size-1
    • optional : True

TDSS

Time domain solvent suppression.

TDSS(winSize=31,nPasses=3,shift=0.0f)

  • winSize Window size of moving average filter (+/- this value).
    • default : 31
    • min : 1
    • max : 128
    • optional : True
  • nPasses Number of passes of filter. Three is optimal.
    • default : 3
    • min : 1
    • max : 3
    • optional : True
  • shift Position of frequency to suppress. Default is in fractional units with zero at center..
    • default : 0.0f
    • min : -0.5
    • max : 0.5
    • optional : True

TM

Trapezoid Multiply.

TM(pt1=0,pt2=-1)

  • pt1 First point to multiply.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • pt2 Last point to multiply.
    • default : -1
    • min : -1
    • max : size-1
    • optional : True

TRI

Triangle Window

TRI(pt1=0,lHeight=1.0,rHeight=0.0)

  • pt1 Middle point of the triangle.
    • default : 0
    • min : 0
    • max : size-1
    • optional : True
  • lHeight Height of the left side.
    • default : 1.0
    • min : 0.0
    • max : 1.0
    • optional : True
  • rHeight Height of the right side.
    • default : 0.0
    • min : 0.0
    • max : 1.0
    • optional : True

VECREF

Sets size, spectrometer frequency and sweep width of vector. Used for simulated FIDs for testing and demonstration.

VECREF(size=8,sf=500.0,sw=5000.0)

  • size Size of vector specified as a power of 2.
    • default : 8
    • min : 3
    • max : 16
    • optional : True
  • sf Spectrometer frequency (in MHz).
    • default : 500.0
    • min : 0.0
    • max : 1200.0
    • optional : True
  • sw Sweep width of spectrum (in Hz).
    • default : 5000.0
    • min : 0.0
    • max : 10000.0
    • optional : True

WRITE

Write vector to dataset (normally done automatically). dimag : bool Discard imaginary values (make vector real).

WRITE()

ZEROS

Zeros a vector.

ZEROS()

ZF

Zero Fill. factor is the 'factor' power of 2 that the vector size is increased to, so if the vector has 513 elements and factor = 1, it will increase to 1024, the next power of 2, but if factor = 2, it will increase to 2048, which is two powers of two greater. A size can be specified instead of a factor which will be the exact number of points the vector will have, and the increased elements will all be zero.

ZF(factor=1,size=-1,pad=-1)

  • factor Number of powers of 2 to zero fill to.
    • default : 1
    • min : -1
    • max : 4
    • optional : True
  • size Size after zero filling. If -1 (default), calculate from factor value.
    • default : -1
    • min : -1
    • max : 65536
    • optional : True
  • pad Increase size by this amount. If -1 (default) use size or factor value.
    • default : -1
    • min : -1
    • max : 128
    • optional : True