Wed May 08 12:17:25.073 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:17:25.088 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_69\1\pdata\1
Wed May 08 12:17:25.104 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:17:25.120 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:17:25.135 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:17:25.199 CEST 2019: No HSQC data available
Wed May 08 12:17:25.230 CEST 2019: No C13 data available
Wed May 08 12:17:25.277 CEST 2019: No HMBC data available
Wed May 08 12:17:25.293 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:17:25.355 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:17:26.091 CEST 2019: Structure is used: true
Wed May 08 12:17:26.106 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_69/1/F09.mol
Wed May 08 12:17:26.142 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.76 s.
Wed May 08 12:17:26.157 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 12:17:26.173 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:17:26.189 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:17:26.189 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:17:26.204 CEST 2019: Spectrum is suppressed.
Wed May 08 12:17:26.220 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:17:26.220 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:17:26.236 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:17:26.251 CEST 2019: Expected impurity: TSP
Wed May 08 12:17:26.268 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:17:26.268 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]
Wed May 08 12:17:26.300 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]
Wed May 08 12:17:26.300 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.06 s.
Wed May 08 12:17:26.315 CEST 2019: RMSD noise: 632.212 (-0.812/-1.312)
Wed May 08 12:17:26.331 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:17:26.347 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:17:26.347 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:17:26.409 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:17:26.926 CEST 2019: Number of Peaks: (95, 42)
Wed May 08 12:17:26.957 CEST 2019: Elapsed time for evaluation (PP Suite): 0.54 s.
Wed May 08 12:17:26.973 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:17:26.973 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:17:26.988 CEST 2019: Signal-to-Noise ratio: 1936.69 (1.112 ppm)
Wed May 08 12:17:27.004 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:17:27.004 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:17:27.020 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.87 s.
Wed May 08 12:17:27.519 CEST 2019: Number of Multiplets: 309
Wed May 08 12:17:27.535 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.51 s.
Wed May 08 12:17:27.722 CEST 2019: Number of Peak Cluster: 13
Wed May 08 12:17:27.722 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Wed May 08 12:17:28.958 CEST 2019: Elapsed time for evaluation (IMSO Suite): 1.22 s.
Wed May 08 12:17:29.702 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.74 s.
Wed May 08 12:17:29.749 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 12:17:29.765 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:17:29.781 CEST 2019: Number of consistent PNS: 2
Wed May 08 12:17:29.796 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:17:29.827 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 12:17:47.321 CEST 2019: Number of ASL: 201
Wed May 08 12:17:47.337 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 17.50 s.
Wed May 08 12:17:53.275 CEST 2019: Elapsed time for evaluation (IN Suite): 5.93 s.
Wed May 08 12:17:53.320 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:17:54.092 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 12:17:54.107 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:17:54.123 CEST 2019: CMC-q finished in 29.05 s.
