Mon May 13 13:42:52.031 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:42:52.041 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F11\1\pdata\1
Mon May 13 13:42:52.061 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:42:52.071 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:42:52.081 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:42:52.106 CEST 2019: No HSQC data available
Mon May 13 13:42:52.121 CEST 2019: No C13 data available
Mon May 13 13:42:52.141 CEST 2019: No HMBC data available
Mon May 13 13:42:52.152 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:42:52.221 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 13 13:42:52.711 CEST 2019: Structure is used: true
Mon May 13 13:42:52.721 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F11/1/0110705794.mol
Mon May 13 13:42:52.721 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Mon May 13 13:42:52.741 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:42:52.752 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:42:52.761 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:42:52.761 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:42:52.771 CEST 2019: Spectrum is suppressed.
Mon May 13 13:42:52.781 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:42:52.791 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:42:52.791 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:42:52.811 CEST 2019: Expected impurity: TSP
Mon May 13 13:42:52.811 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:42:52.821 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 13:42:52.831 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 13:42:52.841 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:42:52.852 CEST 2019: RMSD noise: 675.408 (10.704/10.204)
Mon May 13 13:42:52.852 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:42:52.861 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:42:52.871 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:42:52.912 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:42:53.101 CEST 2019: Number of Peaks: (53, 25)
Mon May 13 13:42:53.121 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:42:53.132 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:42:53.132 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:42:53.141 CEST 2019: Signal-to-Noise ratio: 2688.51 (2.249 ppm)
Mon May 13 13:42:53.152 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:42:53.161 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:42:53.171 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 13 13:42:53.201 CEST 2019: Number of Multiplets: 94
Mon May 13 13:42:53.211 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:42:53.291 CEST 2019: Number of Peak Cluster: 23
Mon May 13 13:42:53.301 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:42:53.336 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:42:53.652 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Mon May 13 13:42:53.661 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:42:53.671 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:42:53.691 CEST 2019: Number of consistent PNS: 7
Mon May 13 13:42:53.691 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:42:53.701 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:43:05.401 CEST 2019: Number of ASL: 111
Mon May 13 13:43:05.421 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.71 s.
Mon May 13 13:43:05.711 CEST 2019: Elapsed time for evaluation (IN Suite): 0.28 s.
Mon May 13 13:43:05.731 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:43:06.336 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Mon May 13 13:43:06.341 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:06.351 CEST 2019: CMC-q finished in 14.32 s.
