Mon May 06 23:07:30.676 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:07:30.691 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\94\pdata\1
Mon May 06 23:07:30.707 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:07:30.722 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:07:30.738 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:07:30.754 CEST 2019: No HSQC data available
Mon May 06 23:07:30.785 CEST 2019: No C13 data available
Mon May 06 23:07:30.801 CEST 2019: No HMBC data available
Mon May 06 23:07:30.816 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:07:30.863 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:07:31.802 CEST 2019: Structure is used: true
Mon May 06 23:07:31.833 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/94/H10.mol
Mon May 06 23:07:31.833 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.96 s.
Mon May 06 23:07:31.848 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:07:31.864 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:07:31.880 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:07:31.880 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:07:31.895 CEST 2019: Spectrum is suppressed.
Mon May 06 23:07:31.911 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:07:31.911 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:07:31.927 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:07:31.942 CEST 2019: Expected impurity: TSP
Mon May 06 23:07:31.958 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:07:31.958 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 23:07:31.974 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 23:07:31.990 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:07:31.990 CEST 2019: RMSD noise: 653.584 (10.098/9.598)
Mon May 06 23:07:32.005 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:07:32.021 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:07:32.021 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:07:32.068 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:07:32.366 CEST 2019: Number of Peaks: (66, 17)
Mon May 06 23:07:32.366 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Mon May 06 23:07:32.381 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:07:32.397 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:07:32.397 CEST 2019: Signal-to-Noise ratio: 2310.39 (7.062 ppm)
Mon May 06 23:07:32.413 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:07:32.428 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:07:32.428 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Mon May 06 23:07:32.553 CEST 2019: Number of Multiplets: 171
Mon May 06 23:07:32.553 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.12 s.
Mon May 06 23:07:32.694 CEST 2019: Number of Peak Cluster: 17
Mon May 06 23:07:32.694 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Mon May 06 23:07:32.866 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 06 23:07:33.506 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.63 s.
Mon May 06 23:07:33.537 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:07:33.553 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:07:33.569 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:07:33.584 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:07:33.631 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Mon May 06 23:07:34.256 CEST 2019: Number of ASL: 24
Mon May 06 23:07:34.272 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.63 s.
Mon May 06 23:07:35.802 CEST 2019: Elapsed time for evaluation (IN Suite): 1.52 s.
Mon May 06 23:07:36.240 CEST 2019: Elapsed time for evaluation (BU Suite): 0.42 s.
Mon May 06 23:07:36.271 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:07:36.287 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 06 23:07:37.051 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 06 23:07:37.066 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:07:37.082 CEST 2019: CMC-q finished in 6.41 s.
