Mon May 13 14:03:14.388 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:03:14.403 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C08\1\pdata\1
Mon May 13 14:03:14.428 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:03:14.438 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:03:14.448 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:03:14.468 CEST 2019: No HSQC data available
Mon May 13 14:03:14.498 CEST 2019: No C13 data available
Mon May 13 14:03:14.518 CEST 2019: No HMBC data available
Mon May 13 14:03:14.528 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:03:14.588 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:03:15.458 CEST 2019: Structure is used: true
Mon May 13 14:03:15.488 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C08/1/0110706016.mol
Mon May 13 14:03:15.498 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.91 s.
Mon May 13 14:03:15.518 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:03:15.528 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:03:15.538 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:03:15.548 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:03:15.558 CEST 2019: Spectrum is suppressed.
Mon May 13 14:03:15.568 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:03:15.578 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:03:15.588 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:03:15.608 CEST 2019: Expected impurity: TSP
Mon May 13 14:03:15.613 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:03:15.628 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 14:03:15.633 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 14:03:15.638 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:03:15.648 CEST 2019: RMSD noise: 675.939 (10.704/10.204)
Mon May 13 14:03:15.665 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:03:15.678 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:03:15.688 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:03:15.738 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:03:15.913 CEST 2019: Number of Peaks: (32, 9)
Mon May 13 14:03:15.918 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 13 14:03:15.928 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:03:15.938 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:03:15.958 CEST 2019: Signal-to-Noise ratio: 294.58 (3.270 ppm)
Mon May 13 14:03:15.968 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:03:15.978 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:03:15.988 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Mon May 13 14:03:16.028 CEST 2019: Number of Multiplets: 82
Mon May 13 14:03:16.038 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:03:16.108 CEST 2019: Number of Peak Cluster: 11
Mon May 13 14:03:16.118 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 14:03:16.318 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Mon May 13 14:03:16.691 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 13 14:03:16.719 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:03:16.729 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:03:16.748 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:03:16.758 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:03:16.768 CEST 2019: Number of consistent PNS: 30
Mon May 13 14:03:16.783 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:03:16.813 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 14:03:16.818 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:03:17.303 CEST 2019: Elapsed time for evaluation (BU Suite): 0.54 s.
Mon May 13 14:03:17.329 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:03:17.338 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:03:18.128 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 13 14:03:18.138 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:03:18.148 CEST 2019: CMC-q finished in 3.76 s.
