Mon May 06 23:18:20.296 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:18:20.296 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\35\pdata\1
Mon May 06 23:18:20.328 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:18:20.343 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:18:20.343 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:18:20.374 CEST 2019: No HSQC data available
Mon May 06 23:18:20.390 CEST 2019: No C13 data available
Mon May 06 23:18:20.406 CEST 2019: No HMBC data available
Mon May 06 23:18:20.421 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:18:20.480 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:18:20.872 CEST 2019: Structure is used: true
Mon May 06 23:18:20.903 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/35/C11.mol
Mon May 06 23:18:20.919 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Mon May 06 23:18:20.934 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:18:20.934 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:18:20.950 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:18:20.965 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:18:20.965 CEST 2019: Spectrum is suppressed.
Mon May 06 23:18:20.981 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:18:20.997 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:18:20.997 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:18:21.012 CEST 2019: Expected impurity: TSP
Mon May 06 23:18:21.028 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:18:21.044 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 23:18:21.044 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 23:18:21.059 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:18:21.075 CEST 2019: RMSD noise: 658.847 (-0.812/-1.312)
Mon May 06 23:18:21.075 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:18:21.090 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:18:21.106 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:18:21.153 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:18:21.262 CEST 2019: Number of Peaks: (12, 9)
Mon May 06 23:18:21.294 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon May 06 23:18:21.294 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:18:21.309 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:18:21.309 CEST 2019: Signal-to-Noise ratio: 1179.88 (7.314 ppm)
Mon May 06 23:18:21.325 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:18:21.340 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:18:21.340 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 06 23:18:21.372 CEST 2019: Number of Multiplets: 47
Mon May 06 23:18:21.387 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 23:18:21.432 CEST 2019: Number of Peak Cluster: 3
Mon May 06 23:18:21.448 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon May 06 23:18:21.621 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:18:21.918 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 06 23:18:21.918 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:18:21.933 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:18:21.949 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:18:21.965 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:18:21.980 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:18:22.074 CEST 2019: Number of ASL: 66
Mon May 06 23:18:22.105 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 06 23:18:22.279 CEST 2019: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon May 06 23:18:22.325 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:18:23.079 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Mon May 06 23:18:23.079 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:18:23.095 CEST 2019: CMC-q finished in 2.80 s.
