Mon May 13 14:01:13.619 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:01:13.628 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C02\1\pdata\1
Mon May 13 14:01:13.648 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:01:13.659 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:01:13.669 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:01:13.688 CEST 2019: No HSQC data available
Mon May 13 14:01:13.708 CEST 2019: No C13 data available
Mon May 13 14:01:13.728 CEST 2019: No HMBC data available
Mon May 13 14:01:13.739 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:01:13.788 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:01:14.101 CEST 2019: Structure is used: true
Mon May 13 14:01:14.141 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C02/1/0110706022.mol
Mon May 13 14:01:14.151 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 13 14:01:14.172 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:01:14.182 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:01:14.192 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:01:14.202 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:01:14.212 CEST 2019: Spectrum is suppressed.
Mon May 13 14:01:14.222 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:01:14.230 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:01:14.243 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:01:14.259 CEST 2019: Expected impurity: TSP
Mon May 13 14:01:14.268 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:01:14.278 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 14:01:14.289 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 14:01:14.299 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:01:14.308 CEST 2019: RMSD noise: 644.933 (-0.812/-1.312)
Mon May 13 14:01:14.318 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:01:14.329 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:01:14.338 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:14.378 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:01:14.559 CEST 2019: Number of Peaks: (32, 8)
Mon May 13 14:01:14.569 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon May 13 14:01:14.579 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:01:14.589 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:14.599 CEST 2019: Signal-to-Noise ratio: 1796.85 (3.412 ppm)
Mon May 13 14:01:14.608 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:01:14.619 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:14.629 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Mon May 13 14:01:14.658 CEST 2019: Number of Multiplets: 48
Mon May 13 14:01:14.668 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 14:01:14.743 CEST 2019: Number of Peak Cluster: 15
Mon May 13 14:01:14.748 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 14:01:14.798 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 13 14:01:15.188 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 14:01:15.199 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:01:15.209 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:01:15.229 CEST 2019: Number of consistent PNS: 1
Mon May 13 14:01:15.238 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:01:15.248 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:01:15.269 CEST 2019: Number of ASL: 1
Mon May 13 14:01:15.278 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 13 14:01:15.289 CEST 2019: Elapsed time for evaluation (IN Suite): 0.00 s.
Mon May 13 14:01:15.928 CEST 2019: Elapsed time for evaluation (BU Suite): 0.62 s.
Mon May 13 14:01:15.949 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:01:15.964 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 14:01:16.668 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.73 s.
Mon May 13 14:01:16.708 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:16.718 CEST 2019: CMC-q finished in 3.10 s.
