Mon May 06 22:38:20.115 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:38:20.131 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\7\pdata\1
Mon May 06 22:38:20.145 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:38:20.161 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:38:20.161 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:38:20.192 CEST 2019: No HSQC data available
Mon May 06 22:38:20.208 CEST 2019: No C13 data available
Mon May 06 22:38:20.239 CEST 2019: No HMBC data available
Mon May 06 22:38:20.239 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:38:20.286 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:38:21.334 CEST 2019: Structure is used: true
Mon May 06 22:38:21.365 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/7/A07.mol
Mon May 06 22:38:21.381 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.08 s.
Mon May 06 22:38:21.396 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:38:21.412 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:38:21.423 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:38:21.423 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:38:21.438 CEST 2019: Spectrum is suppressed.
Mon May 06 22:38:21.454 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:38:21.454 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:38:21.470 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:38:21.485 CEST 2019: Expected impurity: TSP
Mon May 06 22:38:21.485 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:38:21.501 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 22:38:21.516 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 22:38:21.516 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:38:21.532 CEST 2019: RMSD noise: 672.565 (0.403/-0.097)
Mon May 06 22:38:21.548 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:38:21.548 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:38:21.563 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:38:21.610 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:38:21.877 CEST 2019: Number of Peaks: (70, 26)
Mon May 06 22:38:21.877 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 06 22:38:21.893 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:38:21.908 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:38:21.908 CEST 2019: Signal-to-Noise ratio: 929.45 (6.921 ppm)
Mon May 06 22:38:21.924 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:38:21.940 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:38:21.940 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Mon May 06 22:38:22.018 CEST 2019: Number of Multiplets: 124
Mon May 06 22:38:22.018 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 22:38:22.143 CEST 2019: Number of Peak Cluster: 20
Mon May 06 22:38:22.190 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 06 22:38:22.283 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 06 22:38:22.721 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 06 22:38:22.736 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:38:22.736 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:38:22.768 CEST 2019: Number of consistent PNS: 6
Mon May 06 22:38:22.768 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:38:22.783 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:38:25.666 CEST 2019: Number of ASL: 173
Mon May 06 22:38:25.697 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.90 s.
Mon May 06 22:38:26.260 CEST 2019: Elapsed time for evaluation (IN Suite): 0.55 s.
Mon May 06 22:38:26.291 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:38:27.035 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 06 22:38:27.050 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:38:27.066 CEST 2019: CMC-q finished in 6.95 s.
