Mon May 13 14:17:29.166 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:17:29.176 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_G10\1\pdata\1
Mon May 13 14:17:29.196 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:17:29.216 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:17:29.226 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:17:29.246 CEST 2019: No HSQC data available
Mon May 13 14:17:29.267 CEST 2019: No C13 data available
Mon May 13 14:17:29.291 CEST 2019: No HMBC data available
Mon May 13 14:17:29.296 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:17:29.346 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:17:30.801 CEST 2019: Structure is used: true
Mon May 13 14:17:30.833 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_G10/1/0110705966.mol
Mon May 13 14:17:30.836 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.48 s.
Mon May 13 14:17:30.857 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:17:30.871 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:17:30.876 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:17:30.886 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:17:30.901 CEST 2019: Spectrum is suppressed.
Mon May 13 14:17:30.906 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:17:30.906 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:17:30.926 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:17:30.937 CEST 2019: Expected impurity: TSP
Mon May 13 14:17:30.952 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:17:30.956 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 13 14:17:30.966 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 13 14:17:30.981 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:17:30.986 CEST 2019: RMSD noise: 641.844 (10.098/9.598)
Mon May 13 14:17:31.001 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:17:31.006 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:17:31.016 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:17:31.067 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 14:17:31.697 CEST 2019: Number of Peaks: (128, 30)
Mon May 13 14:17:31.726 CEST 2019: Elapsed time for evaluation (PP Suite): 0.65 s.
Mon May 13 14:17:31.737 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:17:31.746 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:17:31.756 CEST 2019: Signal-to-Noise ratio: 756.05 (0.865 ppm)
Mon May 13 14:17:31.766 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:17:31.777 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:17:31.786 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.94 s.
Mon May 13 14:17:32.306 CEST 2019: Number of Multiplets: 321
Mon May 13 14:17:32.316 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.52 s.
Mon May 13 14:17:32.548 CEST 2019: Number of Peak Cluster: 18
Mon May 13 14:17:32.557 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.23 s.
Mon May 13 14:17:32.649 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 14:17:33.799 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.14 s.
Mon May 13 14:17:33.839 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 13 14:17:33.860 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:17:35.902 CEST 2019: Number of consistent PNS: 3
Mon May 13 14:17:35.912 CEST 2019: Elapsed time for evaluation (PNS Suite): 2.05 s.
Mon May 13 14:17:36.017 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.09 s.
Mon May 13 14:18:23.376 CEST 2019: Number of ASL: 201
Mon May 13 14:18:23.386 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 47.37 s.
Mon May 13 14:18:29.437 CEST 2019: Elapsed time for evaluation (IN Suite): 6.03 s.
Mon May 13 14:18:31.146 CEST 2019: Elapsed time for evaluation (BU Suite): 1.70 s.
Mon May 13 14:18:31.174 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:18:31.184 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 14:18:32.598 CEST 2019: Elapsed time for evaluation (FIN Suite): 1.45 s.
Mon May 13 14:18:32.618 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:18:32.626 CEST 2019: CMC-q finished in 63.46 s.
