Wed May 08 10:44:31.684 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:44:31.700 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_17\1\pdata\1
Wed May 08 10:44:31.716 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:44:31.731 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:44:31.731 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:44:31.778 CEST 2019: No HSQC data available
Wed May 08 10:44:31.809 CEST 2019: No C13 data available
Wed May 08 10:44:31.856 CEST 2019: No HMBC data available
Wed May 08 10:44:31.856 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:44:31.929 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 10:44:32.508 CEST 2019: Structure is used: true
Wed May 08 10:44:32.524 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_17/1/B05.mol
Wed May 08 10:44:32.539 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Wed May 08 10:44:32.578 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 10:44:32.594 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:44:32.594 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:44:32.609 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:44:32.625 CEST 2019: Spectrum is suppressed.
Wed May 08 10:44:32.625 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:44:32.640 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:44:32.640 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:44:32.656 CEST 2019: Expected impurity: TSP
Wed May 08 10:44:32.672 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:44:32.687 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 10:44:32.687 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 10:44:32.703 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:44:32.703 CEST 2019: RMSD noise: 676.159 (10.704/10.204)
Wed May 08 10:44:32.719 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:44:32.750 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:44:32.750 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:44:32.797 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:44:32.985 CEST 2019: Number of Peaks: (38, 4)
Wed May 08 10:44:33.001 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 10:44:33.001 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:44:33.017 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:44:33.032 CEST 2019: Signal-to-Noise ratio: 4430.46 (2.087 ppm)
Wed May 08 10:44:33.032 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:44:33.048 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:44:33.064 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 10:44:33.079 CEST 2019: Number of Multiplets: 56
Wed May 08 10:44:33.095 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 10:44:33.204 CEST 2019: Number of Peak Cluster: 26
Wed May 08 10:44:33.220 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 10:44:33.347 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 10:44:33.786 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Wed May 08 10:44:33.817 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:44:33.832 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 10:44:33.848 CEST 2019: Number of consistent PNS: 0
Wed May 08 10:44:33.864 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:44:33.879 CEST 2019: Number of consistent PNS: 25
Wed May 08 10:44:33.879 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:44:33.895 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:44:33.910 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:44:34.567 CEST 2019: Elapsed time for evaluation (BU Suite): 0.69 s.
Wed May 08 10:44:34.604 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 10:44:34.604 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 10:44:35.387 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 10:44:35.402 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:44:35.402 CEST 2019: CMC-q finished in 3.72 s.
