Wed May 08 16:30:20.462 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:30:20.477 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_H11\1\pdata\1
Wed May 08 16:30:20.493 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:30:20.493 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:30:20.508 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:30:20.540 CEST 2019: No HSQC data available
Wed May 08 16:30:20.571 CEST 2019: No C13 data available
Wed May 08 16:30:20.602 CEST 2019: No HMBC data available
Wed May 08 16:30:20.618 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:30:20.677 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:30:21.102 CEST 2019: Structure is used: true
Wed May 08 16:30:21.133 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_H11/1/H11.mol
Wed May 08 16:30:21.133 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.46 s.
Wed May 08 16:30:21.165 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:30:21.165 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:30:21.180 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:30:21.180 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:30:21.196 CEST 2019: Spectrum is suppressed.
Wed May 08 16:30:21.196 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:30:21.212 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:30:21.212 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:30:21.227 CEST 2019: Expected impurity: TSP
Wed May 08 16:30:21.227 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:30:21.243 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 16:30:21.243 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 16:30:21.260 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:30:21.260 CEST 2019: RMSD noise: 687.113 (-0.203/-0.703)
Wed May 08 16:30:21.275 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:30:21.291 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:30:21.291 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:30:21.322 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:30:21.478 CEST 2019: Number of Peaks: (48, 12)
Wed May 08 16:30:21.494 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 16:30:21.494 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:30:21.510 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:30:21.510 CEST 2019: Signal-to-Noise ratio: 964.92 (2.843 ppm)
Wed May 08 16:30:21.525 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:30:21.525 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:30:21.541 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 16:30:21.588 CEST 2019: Number of Multiplets: 131
Wed May 08 16:30:21.619 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 16:30:21.681 CEST 2019: Number of Peak Cluster: 12
Wed May 08 16:30:21.681 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 16:30:21.808 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 16:30:22.106 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 16:30:22.137 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:30:22.137 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:30:22.153 CEST 2019: Number of consistent PNS: 5
Wed May 08 16:30:22.169 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:30:22.184 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:30:27.067 CEST 2019: Number of ASL: 189
Wed May 08 16:30:27.082 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.89 s.
Wed May 08 16:30:27.535 CEST 2019: Elapsed time for evaluation (IN Suite): 0.45 s.
Wed May 08 16:30:27.567 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:30:27.582 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:30:28.133 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Wed May 08 16:30:28.133 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:30:28.148 CEST 2019: CMC-q finished in 7.69 s.
