Mon May 13 13:46:13.620 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:46:13.630 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_G09\1\pdata\1
Mon May 13 13:46:13.650 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:46:13.660 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:46:13.670 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:46:13.690 CEST 2019: No HSQC data available
Mon May 13 13:46:13.710 CEST 2019: No C13 data available
Mon May 13 13:46:13.735 CEST 2019: No HMBC data available
Mon May 13 13:46:13.740 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:46:13.790 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:46:14.021 CEST 2019: Structure is used: true
Mon May 13 13:46:14.060 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_G09/1/0110705775.mol
Mon May 13 13:46:14.072 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.28 s.
Mon May 13 13:46:14.081 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:46:14.090 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:46:14.101 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:46:14.111 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:46:14.120 CEST 2019: Spectrum is suppressed.
Mon May 13 13:46:14.120 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:46:14.136 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:46:14.141 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:46:14.155 CEST 2019: Expected impurity: TSP
Mon May 13 13:46:14.160 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:46:14.171 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 13:46:14.181 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 13:46:14.181 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:46:14.190 CEST 2019: RMSD noise: 694.754 (8.280/7.780)
Mon May 13 13:46:14.200 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:46:14.211 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:46:14.220 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:46:14.260 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:46:14.410 CEST 2019: Number of Peaks: (45, 5)
Mon May 13 13:46:14.420 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 13 13:46:14.431 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:46:14.440 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:46:14.440 CEST 2019: Signal-to-Noise ratio: 4469.77 (1.987 ppm)
Mon May 13 13:46:14.450 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:46:14.460 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:46:14.471 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Mon May 13 13:46:14.500 CEST 2019: Number of Multiplets: 69
Mon May 13 13:46:14.500 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:46:14.590 CEST 2019: Number of Peak Cluster: 20
Mon May 13 13:46:14.610 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:46:14.680 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 13 13:46:14.960 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon May 13 13:46:14.971 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:46:14.982 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:46:14.990 CEST 2019: Number of consistent PNS: 1
Mon May 13 13:46:15.000 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:46:15.010 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:46:15.025 CEST 2019: Number of ASL: 4
Mon May 13 13:46:15.030 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon May 13 13:46:15.051 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon May 13 13:46:15.070 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:46:15.820 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 13 13:46:15.830 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:46:15.837 CEST 2019: CMC-q finished in 2.22 s.
