Mon May 13 13:47:58.990 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:47:59.000 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_H03\1\pdata\1
Mon May 13 13:47:59.022 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:47:59.030 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:47:59.040 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:47:59.060 CEST 2019: No HSQC data available
Mon May 13 13:47:59.080 CEST 2019: No C13 data available
Mon May 13 13:47:59.100 CEST 2019: No HMBC data available
Mon May 13 13:47:59.110 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:47:59.150 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:47:59.530 CEST 2019: Structure is used: true
Mon May 13 13:47:59.570 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_H03/1/0110705762.mol
Mon May 13 13:47:59.570 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon May 13 13:47:59.590 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:47:59.600 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:47:59.610 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:47:59.610 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:47:59.622 CEST 2019: Spectrum is suppressed.
Mon May 13 13:47:59.630 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:47:59.640 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:47:59.650 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:47:59.660 CEST 2019: Expected impurity: TSP
Mon May 13 13:47:59.670 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:47:59.670 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 13:47:59.680 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 13:47:59.690 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:47:59.700 CEST 2019: RMSD noise: 647.744 (5.250/4.751)
Mon May 13 13:47:59.710 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:47:59.720 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:47:59.730 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:47:59.765 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:47:59.950 CEST 2019: Number of Peaks: (59, 21)
Mon May 13 13:47:59.960 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:47:59.970 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:47:59.970 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:47:59.982 CEST 2019: Signal-to-Noise ratio: 2408.77 (1.316 ppm)
Mon May 13 13:47:59.990 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:48:00.000 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:48:00.015 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:48:00.060 CEST 2019: Number of Multiplets: 109
Mon May 13 13:48:00.080 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:48:00.170 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:48:00.180 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:48:00.260 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 13:48:00.610 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 13 13:48:00.630 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:48:00.640 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:48:00.650 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:48:00.660 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:48:00.670 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:48:00.941 CEST 2019: Number of ASL: 149
Mon May 13 13:48:00.950 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.27 s.
Mon May 13 13:48:01.250 CEST 2019: Elapsed time for evaluation (IN Suite): 0.29 s.
Mon May 13 13:48:01.270 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:48:01.280 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:48:01.860 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Mon May 13 13:48:01.870 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:48:01.880 CEST 2019: CMC-q finished in 2.89 s.
