Operations

Processing Operations

The actual processing is done by a sequence of operations. Each operation gets one or more vectors (for example, the ZF command operates on one vector at a time, but the TDCOMB command might get 2 vectors that need to be co-added). Not explicitly specified, but implicitly included in each script is the fact that the beginning of the sequence is initialized by reading a group of vectors from a file, and ended by writing the processed vectors out to the dataset.

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,negativePenalty=1.0)

• 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
• negativePenalty How much to weight to use in penalizing negative values in entropy mode (actual value is multiplied by 1.0e-5).
  • default 1.0
  • min 0.1
  • 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, or percent baseline in cwtdf mode.
  • 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(order=1,winSize=16)

• 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

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

BLACKMAN

Blackman Apodization

BLACKMAN(offset=0.5,end=1.0,c=1.0,apodSize=0,dim=1,inverse=False)

• offset Offset of Blackman window.
  • default 0.5
  • min 0.0
  • max 0.5
  • optional True
• end End value of Blackman window argument.
  • default 1.0
  • min 0.5
  • max 1.0
  • 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
• dim Dataset dimension to apodize. Only applicable for matrix operations.
  • default 1
  • 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,pt2=0.0,delay=None)

• 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

COADD

Coaddition of a set of vectors to yield one result vector.

COADD(coef=None)

• coef List of coefficients to scale each vector by.
  • default None
  • optional True

COMB

combine inVec and outVec with a list of coefficients

COMB(coef=None,numInVec=0,numOutVec=0,inVec=None,outVec=None,keepImag=False)

• 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,adjref=False)

• shift Amount to shift the vector by. If float or int use points. If string, convert units
  • default 0
  • min -128
  • max 128
  • optional True
• adjref If true, adjust the referencing of the vector based on shift
  • default False
  • 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,logToFile=False)

• 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,inverse=False)

• 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

EXTRACTP

Extract a specified range of points.

EXTRACTP(fstart=0.0,fend=0.0)

• fstart Start point of region to extract
  • default 0.0
  • min 0
  • max size-1
  • optional True
• fend End point of region to extract
  • default 0.0
  • min 0
  • max size-1
  • 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',ncoefs=None)

• 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,inverse=False)

• 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,inverse=False)

• 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,inverse=False)

• 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,logToFile=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
• 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(first=0,last=-1)

IST

Iterative Soft Threshold.

IST(threshold=0.98,iterations=500,alg='std',timeDomain=True,ph0=None,ph1=None,adjustThreshold=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=None,timeDomain=True)

• 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

KAISER

Kaiser Apodization

KAISER(offset=0.5,beta=10.0,end=1.0,c=1.0,apodSize=0,dim=1,inverse=False)

• offset Offset of Kaiser window.
  • default 0.5
  • min 0.0
  • max 0.5
  • optional True
• beta Beta.
  • default 10.0
  • min 0.0
  • max 20.0
  • optional True
• end End value of window
  • default 1.0
  • min 0.5
  • max 1.0
  • 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
• dim Dataset dimension to apodize. Only applicable for matrix operations.
  • default 1
  • 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=None)

• 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=None)

• 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(nOuter=15,nInner=20,tolFinal=2.5,muFinal=6,phase=None,logToFile=False,zeroAtStart=True,threshold=0.0)

• nOuter Number of outer iterations (continuations) to perform.
  • default 15
  • min 1
  • max 100
  • optional True
• nInner Number of inner iterations to perform.
  • default 20
  • 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 2.5
  • 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 6
  • 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
• threshold Threshold for absolute value. If less than this skip this hyperplane.
  • default 0.0
  • min 0
  • 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=None)

• 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=None)

• 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(regions=None,type='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,inverse=False)

• 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='',execFileName='',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
• execFileName An initial file 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=0,adjref=False)

• shift Amount of points to shift the vector by.
  • default 0
  • min -2048
  • max 2048
  • optional True
• adjref If true, adjust the referencing of the vector based on shift
  • default False
  • 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=None,numInVec=0,numOutVec=0,inVec=None,outVec=None)

• 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,inverse=False)

• 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,inverse=False)

• 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(index=-1,dimag=True,isabled=False)

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