Mon May 13 13:49:47.110 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:49:47.120 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_H10\1\pdata\1
Mon May 13 13:49:47.140 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:49:47.150 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:49:47.162 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:49:47.180 CEST 2019: No HSQC data available
Mon May 13 13:49:47.200 CEST 2019: No C13 data available
Mon May 13 13:49:47.220 CEST 2019: No HMBC data available
Mon May 13 13:49:47.220 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:49:47.271 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:49:47.640 CEST 2019: Structure is used: true
Mon May 13 13:49:47.670 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_H10/1/0110705221.mol
Mon May 13 13:49:47.680 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.40 s.
Mon May 13 13:49:47.690 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:49:47.700 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:49:47.710 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:49:47.720 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:49:47.720 CEST 2019: Spectrum is suppressed.
Mon May 13 13:49:47.730 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:49:47.740 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:49:47.750 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:49:47.763 CEST 2019: Expected impurity: TSP
Mon May 13 13:49:47.770 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:49:47.780 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 13:49:47.780 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 13:49:47.790 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:49:47.800 CEST 2019: RMSD noise: 655.102 (-0.812/-1.312)
Mon May 13 13:49:47.810 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:49:47.820 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:49:47.830 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:49:47.863 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:49:48.060 CEST 2019: Number of Peaks: (62, 13)
Mon May 13 13:49:48.070 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:49:48.070 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:49:48.080 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:49:48.090 CEST 2019: Signal-to-Noise ratio: 3393.99 (2.130 ppm)
Mon May 13 13:49:48.100 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:49:48.110 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:49:48.120 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:49:48.163 CEST 2019: Number of Multiplets: 108
Mon May 13 13:49:48.170 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:49:48.263 CEST 2019: Number of Peak Cluster: 22
Mon May 13 13:49:48.270 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:49:48.410 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 13:49:48.745 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 13 13:49:48.770 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:49:48.780 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:49:48.800 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:49:48.800 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:49:48.820 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:49:49.360 CEST 2019: Number of ASL: 58
Mon May 13 13:49:49.370 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.54 s.
Mon May 13 13:49:49.490 CEST 2019: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon May 13 13:49:50.160 CEST 2019: Elapsed time for evaluation (BU Suite): 0.65 s.
Mon May 13 13:49:50.180 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:49:50.190 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 13:49:50.760 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Mon May 13 13:49:50.765 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:49:50.770 CEST 2019: CMC-q finished in 3.66 s.
