Mon May 13 13:49:03.735 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:49:03.750 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_H07\1\pdata\1
Mon May 13 13:49:03.770 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:49:03.780 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:49:03.782 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:49:03.800 CEST 2019: No HSQC data available
Mon May 13 13:49:03.820 CEST 2019: No C13 data available
Mon May 13 13:49:03.840 CEST 2019: No HMBC data available
Mon May 13 13:49:03.850 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:49:03.900 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:49:04.340 CEST 2019: Structure is used: true
Mon May 13 13:49:04.350 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_H07/1/0110705243.mol
Mon May 13 13:49:04.350 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon May 13 13:49:04.370 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:49:04.382 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:49:04.390 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:49:04.390 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:49:04.400 CEST 2019: Spectrum is suppressed.
Mon May 13 13:49:04.410 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:49:04.420 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:49:04.420 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:49:04.440 CEST 2019: Expected impurity: TSP
Mon May 13 13:49:04.440 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:49:04.450 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 13:49:04.460 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 13:49:04.470 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:49:04.480 CEST 2019: RMSD noise: 714.413 (5.856/5.357)
Mon May 13 13:49:04.482 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:49:04.490 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:49:04.500 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:49:04.540 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:49:04.730 CEST 2019: Number of Peaks: (61, 10)
Mon May 13 13:49:04.750 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:49:04.760 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:49:04.760 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:49:04.770 CEST 2019: Signal-to-Noise ratio: 3631.36 (3.766 ppm)
Mon May 13 13:49:04.782 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:49:04.790 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:49:04.800 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:49:04.840 CEST 2019: Number of Multiplets: 116
Mon May 13 13:49:04.850 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:49:04.940 CEST 2019: Number of Peak Cluster: 23
Mon May 13 13:49:04.950 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:49:05.083 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 13 13:49:05.380 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 13 13:49:05.390 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:49:05.400 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:49:05.420 CEST 2019: Number of consistent PNS: 6
Mon May 13 13:49:05.430 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:49:05.440 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:49:11.945 CEST 2019: Number of ASL: 296
Mon May 13 13:49:11.960 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.52 s.
Mon May 13 13:49:12.500 CEST 2019: Elapsed time for evaluation (IN Suite): 0.53 s.
Mon May 13 13:49:12.525 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:49:12.540 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:49:13.190 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.68 s.
Mon May 13 13:49:13.200 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:49:13.210 CEST 2019: CMC-q finished in 9.48 s.
