Mon May 06 23:24:16.412 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:24:16.412 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\58\pdata\1
Mon May 06 23:24:16.443 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:24:16.443 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:24:16.459 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:24:16.490 CEST 2019: No HSQC data available
Mon May 06 23:24:16.506 CEST 2019: No C13 data available
Mon May 06 23:24:16.521 CEST 2019: No HMBC data available
Mon May 06 23:24:16.537 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:24:16.584 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:24:16.913 CEST 2019: Structure is used: true
Mon May 06 23:24:16.913 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/58/E10.mol
Mon May 06 23:24:16.929 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.33 s.
Mon May 06 23:24:16.945 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:24:16.960 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:24:16.960 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:24:16.976 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:24:16.991 CEST 2019: Spectrum is suppressed.
Mon May 06 23:24:16.991 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:24:17.007 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:24:17.023 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:24:17.038 CEST 2019: Expected impurity: TSP
Mon May 06 23:24:17.038 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:24:17.054 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 06 23:24:17.070 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 06 23:24:17.070 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:24:17.085 CEST 2019: RMSD noise: 678.780 (-0.812/-1.312)
Mon May 06 23:24:17.101 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:24:17.101 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:24:17.132 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon May 06 23:24:17.210 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Mon May 06 23:24:17.366 CEST 2019: Number of Peaks: (21, 2)
Mon May 06 23:24:17.382 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 06 23:24:17.382 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:24:17.398 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:24:17.398 CEST 2019: Signal-to-Noise ratio: 2117.10 (3.333 ppm)
Mon May 06 23:24:17.413 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:24:17.430 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:24:17.430 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:24:17.477 CEST 2019: Number of Multiplets: 52
Mon May 06 23:24:17.477 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:24:17.539 CEST 2019: Number of Peak Cluster: 8
Mon May 06 23:24:17.555 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 06 23:24:17.728 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:24:18.026 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 06 23:24:18.042 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:24:18.042 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:24:18.058 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:24:18.073 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:24:18.089 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:24:18.106 CEST 2019: Number of ASL: 8
Mon May 06 23:24:18.121 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 06 23:24:18.153 CEST 2019: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon May 06 23:24:18.168 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:24:18.856 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.69 s.
Mon May 06 23:24:18.871 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:24:18.871 CEST 2019: CMC-q finished in 2.46 s.
