Mon May 13 14:08:22.178 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:08:22.198 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_E02\1\pdata\1
Mon May 13 14:08:22.228 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:08:22.248 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:08:22.258 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:08:22.288 CEST 2019: No HSQC data available
Mon May 13 14:08:22.328 CEST 2019: No C13 data available
Mon May 13 14:08:22.358 CEST 2019: No HMBC data available
Mon May 13 14:08:22.368 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:08:22.443 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 13 14:08:23.478 CEST 2019: Structure is used: true
Mon May 13 14:08:23.509 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_E02/1/0110705998.mol
Mon May 13 14:08:23.518 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.07 s.
Mon May 13 14:08:23.537 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:08:23.548 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:08:23.558 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:08:23.568 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:08:23.578 CEST 2019: Spectrum is suppressed.
Mon May 13 14:08:23.588 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:08:23.597 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:08:23.609 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:08:23.628 CEST 2019: Expected impurity: TSP
Mon May 13 14:08:23.638 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:08:23.648 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 14:08:23.658 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 14:08:23.667 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:08:23.677 CEST 2019: RMSD noise: 678.488 (10.704/10.204)
Mon May 13 14:08:23.688 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:08:23.697 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:08:23.718 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:08:23.758 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:08:23.998 CEST 2019: Number of Peaks: (66, 7)
Mon May 13 14:08:24.009 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 13 14:08:24.018 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:08:24.028 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:08:24.037 CEST 2019: Signal-to-Noise ratio: 381.28 (3.270 ppm)
Mon May 13 14:08:24.048 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:08:24.058 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:08:24.068 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Mon May 13 14:08:24.188 CEST 2019: Number of Multiplets: 163
Mon May 13 14:08:24.198 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.12 s.
Mon May 13 14:08:24.309 CEST 2019: Number of Peak Cluster: 18
Mon May 13 14:08:24.318 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 14:08:24.509 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Mon May 13 14:08:24.938 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 13 14:08:24.978 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:08:24.988 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:08:25.008 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:08:25.018 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:08:25.038 CEST 2019: Number of consistent PNS: 30
Mon May 13 14:08:25.047 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:08:25.078 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 14:08:25.088 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:08:26.478 CEST 2019: Elapsed time for evaluation (BU Suite): 1.46 s.
Mon May 13 14:08:26.505 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:08:26.515 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:08:27.348 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Mon May 13 14:08:27.358 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:08:27.373 CEST 2019: CMC-q finished in 5.20 s.
