Wed May 08 10:50:41.519 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:50:41.535 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_37\1\pdata\1
Wed May 08 10:50:41.566 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:50:41.581 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:50:41.597 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:50:41.640 CEST 2019: No HSQC data available
Wed May 08 10:50:41.687 CEST 2019: No C13 data available
Wed May 08 10:50:41.718 CEST 2019: No HMBC data available
Wed May 08 10:50:41.734 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:50:41.820 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 10:50:42.884 CEST 2019: Structure is used: true
Wed May 08 10:50:42.900 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_37/1/D01.mol
Wed May 08 10:50:42.915 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.09 s.
Wed May 08 10:50:42.956 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 10:50:42.972 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:50:42.972 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:50:42.987 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:50:42.987 CEST 2019: Spectrum is suppressed.
Wed May 08 10:50:43.003 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:50:43.019 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:50:43.019 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:50:43.034 CEST 2019: Expected impurity: TSP
Wed May 08 10:50:43.050 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:50:43.066 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 10:50:43.066 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 10:50:43.081 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:50:43.097 CEST 2019: RMSD noise: 663.035 (5.856/5.357)
Wed May 08 10:50:43.097 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:50:43.112 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:50:43.128 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:50:43.191 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 10:50:43.410 CEST 2019: Number of Peaks: (48, 21)
Wed May 08 10:50:43.426 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 10:50:43.442 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:50:43.442 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:50:43.459 CEST 2019: Signal-to-Noise ratio: 1586.52 (3.483 ppm)
Wed May 08 10:50:43.475 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:50:43.475 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:50:43.491 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Wed May 08 10:50:43.569 CEST 2019: Number of Multiplets: 131
Wed May 08 10:50:43.584 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 10:50:43.678 CEST 2019: Number of Peak Cluster: 13
Wed May 08 10:50:43.694 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 10:50:43.945 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.25 s.
Wed May 08 10:50:44.398 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.44 s.
Wed May 08 10:50:44.458 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 10:50:44.474 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:50:44.489 CEST 2019: Number of consistent PNS: 2
Wed May 08 10:50:44.489 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:50:44.521 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 10:50:48.886 CEST 2019: Number of ASL: 58
Wed May 08 10:50:48.902 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.37 s.
Wed May 08 10:50:49.996 CEST 2019: Elapsed time for evaluation (IN Suite): 1.10 s.
Wed May 08 10:50:50.050 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:50:50.885 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 10:50:50.885 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:50:50.901 CEST 2019: CMC-q finished in 9.38 s.
