Mon May 13 13:29:16.392 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:29:16.402 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B07\1\pdata\1
Mon May 13 13:29:16.423 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:29:16.433 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:29:16.443 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:29:16.463 CEST 2019: No HSQC data available
Mon May 13 13:29:16.483 CEST 2019: No C13 data available
Mon May 13 13:29:16.502 CEST 2019: No HMBC data available
Mon May 13 13:29:16.512 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:29:16.553 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:29:17.505 CEST 2019: Structure is used: true
Mon May 13 13:29:17.533 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B07/1/0110705838.mol
Mon May 13 13:29:17.542 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.98 s.
Mon May 13 13:29:17.563 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:29:17.573 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:29:17.573 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:29:17.583 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:29:17.593 CEST 2019: Spectrum is suppressed.
Mon May 13 13:29:17.603 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:29:17.603 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:29:17.613 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:29:17.624 CEST 2019: Expected impurity: TSP
Mon May 13 13:29:17.633 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:29:17.643 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]
Mon May 13 13:29:17.653 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]
Mon May 13 13:29:17.662 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:29:17.662 CEST 2019: RMSD noise: 701.798 (10.098/9.598)
Mon May 13 13:29:17.673 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:29:17.683 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:29:17.692 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:17.733 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:29:18.012 CEST 2019: Number of Peaks: (108, 33)
Mon May 13 13:29:18.034 CEST 2019: Elapsed time for evaluation (PP Suite): 0.30 s.
Mon May 13 13:29:18.043 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:29:18.053 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:18.062 CEST 2019: Signal-to-Noise ratio: 407.18 (7.528 ppm)
Mon May 13 13:29:18.062 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:29:18.072 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:18.083 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Mon May 13 13:29:18.192 CEST 2019: Number of Multiplets: 225
Mon May 13 13:29:18.203 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.11 s.
Mon May 13 13:29:18.343 CEST 2019: Number of Peak Cluster: 30
Mon May 13 13:29:18.353 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 13 13:29:18.493 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 13:29:18.923 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 13 13:29:18.943 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:29:18.952 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:29:18.972 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:29:18.982 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:29:19.024 CEST 2019: Number of consistent PNS: 70
Mon May 13 13:29:19.032 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 13 13:29:19.073 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 13 13:29:19.082 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:20.483 CEST 2019: Elapsed time for evaluation (BU Suite): 1.49 s.
Mon May 13 13:29:20.503 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:29:20.512 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:29:21.173 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.68 s.
Mon May 13 13:29:21.192 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:21.202 CEST 2019: CMC-q finished in 4.81 s.
