Mon May 13 13:48:52.270 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:48:52.280 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_H06\1\pdata\1
Mon May 13 13:48:52.300 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:48:52.311 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:48:52.311 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:48:52.330 CEST 2019: No HSQC data available
Mon May 13 13:48:52.350 CEST 2019: No C13 data available
Mon May 13 13:48:52.370 CEST 2019: No HMBC data available
Mon May 13 13:48:52.380 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:48:52.420 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:48:52.760 CEST 2019: Structure is used: true
Mon May 13 13:48:52.770 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_H06/1/0110705765.mol
Mon May 13 13:48:52.770 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.34 s.
Mon May 13 13:48:52.790 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:48:52.800 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:48:52.800 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:48:52.812 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:48:52.820 CEST 2019: Spectrum is suppressed.
Mon May 13 13:48:52.830 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:48:52.840 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:48:52.840 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:48:52.860 CEST 2019: Expected impurity: TSP
Mon May 13 13:48:52.860 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:48:52.870 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 13:48:52.880 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 13:48:52.890 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:48:52.900 CEST 2019: RMSD noise: 666.501 (-0.812/-1.312)
Mon May 13 13:48:52.912 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:48:52.920 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:48:52.930 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:48:52.965 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:48:53.112 CEST 2019: Number of Peaks: (31, 22)
Mon May 13 13:48:53.150 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 13 13:48:53.160 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:48:53.170 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:48:53.170 CEST 2019: Signal-to-Noise ratio: 3885.47 (3.740 ppm)
Mon May 13 13:48:53.180 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:48:53.190 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:48:53.200 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Mon May 13 13:48:53.225 CEST 2019: Number of Multiplets: 52
Mon May 13 13:48:53.230 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:48:53.290 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:48:53.300 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:48:53.335 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:48:53.612 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon May 13 13:48:53.620 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:48:53.630 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:48:53.640 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:48:53.650 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:48:53.660 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:48:53.680 CEST 2019: Number of ASL: 4
Mon May 13 13:48:53.690 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 13 13:48:53.713 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon May 13 13:48:53.730 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:48:53.740 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:48:54.290 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Mon May 13 13:48:54.290 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:48:54.300 CEST 2019: CMC-q finished in 2.03 s.
