Mon May 06 22:53:39.940 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:53:39.956 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\48\pdata\1
Mon May 06 22:53:39.971 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:53:39.987 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:53:39.987 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:53:40.018 CEST 2019: No HSQC data available
Mon May 06 22:53:40.049 CEST 2019: No C13 data available
Mon May 06 22:53:40.066 CEST 2019: No HMBC data available
Mon May 06 22:53:40.082 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:53:40.160 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Mon May 06 22:53:41.240 CEST 2019: Structure is used: true
Mon May 06 22:53:41.255 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/48/D12.mol
Mon May 06 22:53:41.255 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.09 s.
Mon May 06 22:53:41.271 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:53:41.287 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:53:41.302 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:53:41.318 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:53:41.318 CEST 2019: Spectrum is suppressed.
Mon May 06 22:53:41.333 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:53:41.333 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:53:41.349 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:53:41.365 CEST 2019: Expected impurity: TSP
Mon May 06 22:53:41.380 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:53:41.380 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 22:53:41.402 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 22:53:41.402 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:53:41.418 CEST 2019: RMSD noise: 713.083 (8.280/7.780)
Mon May 06 22:53:41.434 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:53:41.449 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:53:41.449 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:53:41.512 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 22:53:41.872 CEST 2019: Number of Peaks: (82, 22)
Mon May 06 22:53:41.872 CEST 2019: Elapsed time for evaluation (PP Suite): 0.36 s.
Mon May 06 22:53:41.888 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:53:41.904 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:53:41.904 CEST 2019: Signal-to-Noise ratio: 4738.21 (0.926 ppm)
Mon May 06 22:53:41.919 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:53:41.935 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:53:41.935 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.67 s.
Mon May 06 22:53:42.029 CEST 2019: Number of Multiplets: 138
Mon May 06 22:53:42.054 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Mon May 06 22:53:42.194 CEST 2019: Number of Peak Cluster: 25
Mon May 06 22:53:42.210 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 06 22:53:42.383 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Mon May 06 22:53:42.931 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.53 s.
Mon May 06 22:53:42.994 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 22:53:43.009 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:53:43.041 CEST 2019: Number of consistent PNS: 9
Mon May 06 22:53:43.056 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Mon May 06 22:53:43.072 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:53:46.696 CEST 2019: Number of ASL: 6
Mon May 06 22:53:46.712 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.63 s.
Mon May 06 22:53:47.228 CEST 2019: Elapsed time for evaluation (IN Suite): 0.51 s.
Mon May 06 22:53:47.259 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:53:47.275 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:53:48.026 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 06 22:53:48.041 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:53:48.041 CEST 2019: CMC-q finished in 8.10 s.
