Wed May 08 16:22:14.833 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:22:14.833 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F08\1\pdata\1
Wed May 08 16:22:14.865 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:22:14.880 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:22:14.880 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:22:14.927 CEST 2019: No HSQC data available
Wed May 08 16:22:14.960 CEST 2019: No C13 data available
Wed May 08 16:22:14.991 CEST 2019: No HMBC data available
Wed May 08 16:22:15.006 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:22:15.066 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:22:15.741 CEST 2019: Structure is used: true
Wed May 08 16:22:15.772 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F08/1/F08.mol
Wed May 08 16:22:15.772 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.70 s.
Wed May 08 16:22:15.803 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:22:15.803 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:22:15.819 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:22:15.835 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:22:15.835 CEST 2019: Spectrum is suppressed.
Wed May 08 16:22:15.850 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:22:15.850 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:22:15.866 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:22:15.881 CEST 2019: Expected impurity: TSP
Wed May 08 16:22:15.897 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:22:15.897 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 16:22:15.913 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 16:22:15.928 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:22:15.928 CEST 2019: RMSD noise: 673.219 (-0.203/-0.703)
Wed May 08 16:22:15.944 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:22:15.944 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:22:15.960 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:16.008 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:22:16.273 CEST 2019: Number of Peaks: (53, 16)
Wed May 08 16:22:16.289 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 16:22:16.304 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:22:16.304 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:22:16.320 CEST 2019: Signal-to-Noise ratio: 3482.18 (2.816 ppm)
Wed May 08 16:22:16.336 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:22:16.336 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:16.351 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 16:22:16.414 CEST 2019: Number of Multiplets: 115
Wed May 08 16:22:16.414 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 16:22:16.523 CEST 2019: Number of Peak Cluster: 17
Wed May 08 16:22:16.523 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 16:22:16.695 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Wed May 08 16:22:17.149 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Wed May 08 16:22:17.182 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 16:22:17.198 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:22:17.213 CEST 2019: Number of consistent PNS: 2
Wed May 08 16:22:17.230 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:22:17.246 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:22:17.734 CEST 2019: Number of ASL: 18
Wed May 08 16:22:17.750 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.51 s.
Wed May 08 16:22:18.457 CEST 2019: Elapsed time for evaluation (IN Suite): 0.70 s.
Wed May 08 16:22:18.489 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:22:19.273 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 16:22:19.288 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:22:19.321 CEST 2019: CMC-q finished in 4.49 s.
