Wed May 08 10:40:52.020 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:40:52.035 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_6\1\pdata\1
Wed May 08 10:40:52.051 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:40:52.066 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:40:52.066 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:40:52.113 CEST 2019: No HSQC data available
Wed May 08 10:40:52.144 CEST 2019: No C13 data available
Wed May 08 10:40:52.177 CEST 2019: No HMBC data available
Wed May 08 10:40:52.193 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:40:52.273 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.08 s.
Wed May 08 10:40:52.821 CEST 2019: Structure is used: true
Wed May 08 10:40:52.836 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_6/1/A06.mol
Wed May 08 10:40:52.836 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Wed May 08 10:40:52.868 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 10:40:52.883 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:40:52.883 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:40:52.899 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:40:52.914 CEST 2019: Spectrum is suppressed.
Wed May 08 10:40:52.914 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:40:52.930 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:40:52.946 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:40:52.946 CEST 2019: Expected impurity: TSP
Wed May 08 10:40:52.961 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:40:52.977 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 10:40:52.977 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 10:40:52.992 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:40:52.992 CEST 2019: RMSD noise: 663.682 (-0.203/-0.703)
Wed May 08 10:40:53.008 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:40:53.024 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:40:53.039 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:40:53.072 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:40:53.295 CEST 2019: Number of Peaks: (61, 9)
Wed May 08 10:40:53.328 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 10:40:53.328 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:40:53.343 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:40:53.359 CEST 2019: Signal-to-Noise ratio: 1359.82 (3.476 ppm)
Wed May 08 10:40:53.359 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:40:53.375 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:40:53.390 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Wed May 08 10:40:53.437 CEST 2019: Number of Multiplets: 110
Wed May 08 10:40:53.453 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 10:40:53.564 CEST 2019: Number of Peak Cluster: 23
Wed May 08 10:40:53.579 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 10:40:53.642 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 10:40:54.056 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Wed May 08 10:40:54.103 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:40:54.119 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:40:54.135 CEST 2019: Number of consistent PNS: 3
Wed May 08 10:40:54.135 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:40:54.150 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:41:02.201 CEST 2019: Number of ASL: 76
Wed May 08 10:41:02.217 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 8.06 s.
Wed May 08 10:41:02.498 CEST 2019: Elapsed time for evaluation (IN Suite): 0.28 s.
Wed May 08 10:41:02.519 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:41:03.305 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Wed May 08 10:41:03.305 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:41:03.320 CEST 2019: CMC-q finished in 11.30 s.
