Wed May 08 16:07:18.670 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:07:18.687 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_B11\1\pdata\1
Wed May 08 16:07:18.703 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:07:18.719 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:07:18.719 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:07:18.828 CEST 2019: No HSQC data available
Wed May 08 16:07:18.875 CEST 2019: No C13 data available
Wed May 08 16:07:18.922 CEST 2019: No HMBC data available
Wed May 08 16:07:18.937 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:07:19.007 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 16:07:19.633 CEST 2019: Structure is used: true
Wed May 08 16:07:19.649 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_B11/1/B11.mol
Wed May 08 16:07:19.664 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.65 s.
Wed May 08 16:07:19.695 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:07:19.695 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:07:19.711 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:07:19.711 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:07:19.727 CEST 2019: Spectrum is suppressed.
Wed May 08 16:07:19.742 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:07:19.742 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:07:19.758 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:07:19.774 CEST 2019: Expected impurity: TSP
Wed May 08 16:07:19.774 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:07:19.789 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 16:07:19.805 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 16:07:19.805 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:07:19.820 CEST 2019: RMSD noise: 699.392 (5.250/4.751)
Wed May 08 16:07:19.820 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:07:19.836 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:07:19.852 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:07:19.899 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:07:20.289 CEST 2019: Number of Peaks: (85, 35)
Wed May 08 16:07:20.320 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 16:07:20.320 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:07:20.336 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:07:20.352 CEST 2019: Signal-to-Noise ratio: 2116.27 (0.844 ppm)
Wed May 08 16:07:20.352 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:07:20.367 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:07:20.383 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.70 s.
Wed May 08 16:07:20.648 CEST 2019: Number of Multiplets: 251
Wed May 08 16:07:20.664 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.28 s.
Wed May 08 16:07:20.837 CEST 2019: Number of Peak Cluster: 18
Wed May 08 16:07:20.853 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Wed May 08 16:07:20.962 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 16:07:21.610 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.64 s.
Wed May 08 16:07:21.657 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 16:07:21.673 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:07:21.704 CEST 2019: Number of consistent PNS: 7
Wed May 08 16:07:21.720 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 16:07:21.735 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:07:33.326 CEST 2019: Number of ASL: 603
Wed May 08 16:07:33.336 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.58 s.
Wed May 08 16:07:38.238 CEST 2019: Elapsed time for evaluation (IN Suite): 4.90 s.
Wed May 08 16:07:38.269 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:07:39.100 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 16:07:39.100 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:07:39.116 CEST 2019: CMC-q finished in 20.45 s.
