Repository revision
6:6e837e9352a2

Repository 'nmr_preprocessing'
hg clone https://toolshed.g2.bx.psu.edu/repos/marie-tremblay-metatoul/nmr_preprocessing

NMR_Preprocessing tool metadata
Miscellaneous
Preprocessing of 1D NMR spectra
NMR_Preprocessing
toolshed.g2.bx.psu.edu/repos/marie-tremblay-metatoul/nmr_preprocessing/NMR_Preprocessing/3.3.0
3.3.0
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/marie-tremblay-metatoul/nmr_preprocessing/NMR_Preprocessing/3.3.0 (this tool)
toolshed.g2.bx.psu.edu/repos/marie-tremblay-metatoul/nmr_preprocessing/NMR_Preprocessing/1.2.0
toolshed.g2.bx.psu.edu/repos/marie-tremblay-metatoul/nmr_preprocessing/NMR_Preprocessing/3.2.0
toolshed.g2.bx.psu.edu/repos/marie-tremblay-metatoul/nmr_preprocessing/NMR_Preprocessing/3.1.0
toolshed.g2.bx.psu.edu/repos/marie-tremblay-metatoul/nmr_preprocessing/NMR_Preprocessing/3.0.1
NMR_Preprocessing
Requirements (dependencies defined in the <requirements> tag set)
name version type
r-batch 1.1_4 package
r-ggplot2 2.2.1 package
r-gridextra 2.3 package
r-reshape2 1.4.3 package
r-ptw 1.9_12 package
r-matrix 1.2_12 package
Functional tests
name inputs outputs required files
Test-1 BC|BCGraph: NO
ZOPC|excludeZoneZeroPhase|choice: YES
SR|SRGraph: NO
Apod|apodizationMethod|method: exp
Apod|ApodGraph: NO
sampleMetadataFid: sampleMetadata.tabular
ZOPC|ZeroOPCGraph: NO
ZOPC|zeroOrderPhaseMethod: rms
SR|shiftReferencingRange|method: nearvalue
NZ|NegativetoZero: YES
GDC|FirstOPCGraph: NO
ZOPC|excludeZoneZeroPhase|conditions_0|excludeZoneZeroPhase_left: 5.1
SS|lambda: 1000000
Apod|apodizationMethod|expLB: 1
SR|shiftHandling: zerofilling
SR|shiftReferencingRange|pctNearValue: 0.02
BC|pBc: 0.05
FT|FTGraph: NO
ZOPC|excludeZoneZeroPhase|conditions_0|excludeZoneZeroPhase_right: 4.5
dataMatrixFid: NMR_ReadFids_dataMatrix.tabular
SS|SSGraph: NO
FinalGraph: YES
BC|lambdaBc: 100000.0
SR|ppmvalue: 0
BC|epsilon: 0.00000001
attributes: name
NMR_ReadFids_dataMatrix.tabular
sampleMetadata.tabular
name