Mon May 13 14:06:30.158 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:06:30.168 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D08\1\pdata\1
Mon May 13 14:06:30.188 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:06:30.198 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:06:30.208 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:06:30.228 CEST 2019: No HSQC data available
Mon May 13 14:06:30.258 CEST 2019: No C13 data available
Mon May 13 14:06:30.278 CEST 2019: No HMBC data available
Mon May 13 14:06:30.288 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:06:30.338 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:06:30.828 CEST 2019: Structure is used: true
Mon May 13 14:06:30.878 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D08/1/0110706007.mol
Mon May 13 14:06:30.888 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.54 s.
Mon May 13 14:06:30.908 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:06:30.918 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:06:30.928 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:06:30.938 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:06:30.948 CEST 2019: Spectrum is suppressed.
Mon May 13 14:06:30.958 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:06:30.968 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:06:30.978 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:06:30.993 CEST 2019: Expected impurity: TSP
Mon May 13 14:06:30.998 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:06:31.008 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 14:06:31.018 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 14:06:31.033 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:06:31.043 CEST 2019: RMSD noise: 649.224 (8.280/7.780)
Mon May 13 14:06:31.048 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:06:31.058 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:06:31.073 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:31.118 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:06:31.428 CEST 2019: Number of Peaks: (70, 9)
Mon May 13 14:06:31.448 CEST 2019: Elapsed time for evaluation (PP Suite): 0.32 s.
Mon May 13 14:06:31.458 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:06:31.468 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:31.478 CEST 2019: Signal-to-Noise ratio: 3239.80 (3.438 ppm)
Mon May 13 14:06:31.488 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:06:31.498 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:31.508 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Mon May 13 14:06:31.583 CEST 2019: Number of Multiplets: 134
Mon May 13 14:06:31.588 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 14:06:31.728 CEST 2019: Number of Peak Cluster: 20
Mon May 13 14:06:31.743 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Mon May 13 14:06:31.868 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 13 14:06:32.368 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.49 s.
Mon May 13 14:06:32.388 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:06:32.398 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:06:32.418 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:06:32.428 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:06:32.443 CEST 2019: Number of consistent PNS: 30
Mon May 13 14:06:32.448 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:06:32.478 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:06:32.488 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:34.068 CEST 2019: Elapsed time for evaluation (BU Suite): 1.63 s.
Mon May 13 14:06:34.090 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:06:34.100 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:06:34.788 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.71 s.
Mon May 13 14:06:34.798 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:34.808 CEST 2019: CMC-q finished in 4.65 s.
