Wed May 08 12:08:09.610 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:08:09.610 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_52\1\pdata\1
Wed May 08 12:08:09.642 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:08:09.642 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:08:09.657 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:08:09.688 CEST 2019: No HSQC data available
Wed May 08 12:08:09.735 CEST 2019: No C13 data available
Wed May 08 12:08:09.768 CEST 2019: No HMBC data available
Wed May 08 12:08:09.784 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:08:09.859 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:08:10.595 CEST 2019: Structure is used: true
Wed May 08 12:08:10.626 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_52/1/E04.mol
Wed May 08 12:08:10.626 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.76 s.
Wed May 08 12:08:10.667 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:08:10.683 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:08:10.683 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:08:10.698 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:08:10.698 CEST 2019: Spectrum is suppressed.
Wed May 08 12:08:10.714 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:08:10.730 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:08:10.730 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:08:10.745 CEST 2019: Expected impurity: TSP
Wed May 08 12:08:10.761 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:08:10.776 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 12:08:10.792 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 12:08:10.808 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.06 s.
Wed May 08 12:08:10.808 CEST 2019: RMSD noise: 636.264 (10.704/10.204)
Wed May 08 12:08:10.823 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:08:10.839 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:08:10.856 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:08:10.925 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 12:08:11.411 CEST 2019: Number of Peaks: (130, 25)
Wed May 08 12:08:11.442 CEST 2019: Elapsed time for evaluation (PP Suite): 0.50 s.
Wed May 08 12:08:11.442 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:08:11.458 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:08:11.473 CEST 2019: Signal-to-Noise ratio: 6151.35 (2.814 ppm)
Wed May 08 12:08:11.473 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:08:11.489 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:08:11.505 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.86 s.
Wed May 08 12:08:11.614 CEST 2019: Number of Multiplets: 216
Wed May 08 12:08:11.630 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.12 s.
Wed May 08 12:08:11.895 CEST 2019: Number of Peak Cluster: 45
Wed May 08 12:08:11.911 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.28 s.
Wed May 08 12:08:12.114 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.20 s.
Wed May 08 12:08:12.817 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.68 s.
Wed May 08 12:08:12.832 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:08:12.864 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:08:12.879 CEST 2019: Number of consistent PNS: 5
Wed May 08 12:08:12.879 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:08:12.895 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:08:13.051 CEST 2019: Number of ASL: 3
Wed May 08 12:08:13.067 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.16 s.
Wed May 08 12:08:13.614 CEST 2019: Elapsed time for evaluation (IN Suite): 0.52 s.
Wed May 08 12:08:13.653 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:08:14.435 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 12:08:14.435 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:08:14.451 CEST 2019: CMC-q finished in 4.84 s.
