Mon May 06 23:32:57.039 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:32:57.039 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\91\pdata\1
Mon May 06 23:32:57.070 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:32:57.086 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:32:57.086 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:32:57.117 CEST 2019: No HSQC data available
Mon May 06 23:32:57.133 CEST 2019: No C13 data available
Mon May 06 23:32:57.164 CEST 2019: No HMBC data available
Mon May 06 23:32:57.164 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:32:57.224 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:32:57.851 CEST 2019: Structure is used: true
Mon May 06 23:32:57.882 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/91/H07.mol
Mon May 06 23:32:57.882 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Mon May 06 23:32:57.897 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:32:57.913 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:32:57.929 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:32:57.940 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:32:57.940 CEST 2019: Spectrum is suppressed.
Mon May 06 23:32:57.956 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:32:57.971 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:32:57.971 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:32:57.987 CEST 2019: Expected impurity: TSP
Mon May 06 23:32:58.002 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:32:58.002 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 06 23:32:58.018 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 06 23:32:58.034 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:32:58.034 CEST 2019: RMSD noise: 713.851 (8.886/8.386)
Mon May 06 23:32:58.049 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:32:58.065 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:32:58.081 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:32:58.112 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:32:58.379 CEST 2019: Number of Peaks: (70, 30)
Mon May 06 23:32:58.394 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 06 23:32:58.394 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:32:58.410 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:32:58.426 CEST 2019: Signal-to-Noise ratio: 3526.41 (0.868 ppm)
Mon May 06 23:32:58.441 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:32:58.441 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:32:58.457 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Mon May 06 23:32:58.519 CEST 2019: Number of Multiplets: 131
Mon May 06 23:32:58.519 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 23:32:58.661 CEST 2019: Number of Peak Cluster: 25
Mon May 06 23:32:58.693 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon May 06 23:32:58.739 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 06 23:32:59.259 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Mon May 06 23:32:59.290 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:32:59.306 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 23:32:59.321 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:32:59.321 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:32:59.337 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:33:13.496 CEST 2019: Number of ASL: 263
Mon May 06 23:33:13.512 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 14.16 s.
Mon May 06 23:33:14.325 CEST 2019: Elapsed time for evaluation (IN Suite): 0.80 s.
Mon May 06 23:33:14.372 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:33:15.121 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 06 23:33:15.137 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:33:15.152 CEST 2019: CMC-q finished in 18.11 s.
