Mon May 13 14:06:17.068 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:06:17.083 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D07\1\pdata\1
Mon May 13 14:06:17.098 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:06:17.118 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:06:17.128 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:06:17.148 CEST 2019: No HSQC data available
Mon May 13 14:06:17.178 CEST 2019: No C13 data available
Mon May 13 14:06:17.198 CEST 2019: No HMBC data available
Mon May 13 14:06:17.213 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:06:17.258 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:06:17.668 CEST 2019: Structure is used: true
Mon May 13 14:06:17.678 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D07/1/0110706006.mol
Mon May 13 14:06:17.688 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Mon May 13 14:06:17.698 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:06:17.708 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:06:17.718 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:06:17.733 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:06:17.743 CEST 2019: Spectrum is suppressed.
Mon May 13 14:06:17.753 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:06:17.763 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:06:17.768 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:06:17.788 CEST 2019: Expected impurity: TSP
Mon May 13 14:06:17.798 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:06:17.808 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 14:06:17.818 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 14:06:17.828 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:06:17.838 CEST 2019: RMSD noise: 684.904 (10.704/10.204)
Mon May 13 14:06:17.848 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:06:17.858 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:06:17.868 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:17.918 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:06:18.143 CEST 2019: Number of Peaks: (51, 7)
Mon May 13 14:06:18.188 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 13 14:06:18.198 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:06:18.209 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:18.218 CEST 2019: Signal-to-Noise ratio: 4428.71 (2.087 ppm)
Mon May 13 14:06:18.228 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:06:18.238 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:18.253 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Mon May 13 14:06:18.288 CEST 2019: Number of Multiplets: 76
Mon May 13 14:06:18.298 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:06:18.398 CEST 2019: Number of Peak Cluster: 23
Mon May 13 14:06:18.410 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 14:06:18.518 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Mon May 13 14:06:18.948 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 13 14:06:18.958 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:06:18.978 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:06:18.998 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:06:19.008 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:06:19.018 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:06:19.063 CEST 2019: Number of ASL: 4
Mon May 13 14:06:19.068 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon May 13 14:06:19.098 CEST 2019: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon May 13 14:06:20.018 CEST 2019: Elapsed time for evaluation (BU Suite): 0.91 s.
Mon May 13 14:06:20.048 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:06:20.058 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 14:06:20.758 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 13 14:06:20.783 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:20.793 CEST 2019: CMC-q finished in 3.73 s.
