Wed May 08 09:13:40.899 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:13:40.915 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_6\1\pdata\1
Wed May 08 09:13:40.930 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:13:40.946 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:13:40.962 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:13:40.977 CEST 2019: No HSQC data available
Wed May 08 09:13:40.993 CEST 2019: No C13 data available
Wed May 08 09:13:41.008 CEST 2019: No HMBC data available
Wed May 08 09:13:41.024 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:13:41.071 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:13:41.400 CEST 2019: Structure is used: true
Wed May 08 09:13:41.447 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_6/1/41.mol
Wed May 08 09:13:41.447 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Wed May 08 09:13:41.463 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:13:41.478 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:13:41.478 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:13:41.494 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:13:41.494 CEST 2019: Spectrum is suppressed.
Wed May 08 09:13:41.510 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:13:41.510 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:13:41.525 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:13:41.525 CEST 2019: Expected impurity: TSP
Wed May 08 09:13:41.541 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:13:41.541 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 09:13:41.556 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 09:13:41.572 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:13:41.572 CEST 2019: RMSD noise: 704.118 (10.098/9.598)
Wed May 08 09:13:41.588 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:13:41.588 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:13:41.603 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:41.635 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:13:41.806 CEST 2019: Number of Peaks: (56, 13)
Wed May 08 09:13:41.822 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:13:41.822 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:13:41.841 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:13:41.841 CEST 2019: Signal-to-Noise ratio: 1664.48 (0.831 ppm)
Wed May 08 09:13:41.857 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:13:41.857 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:41.872 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:13:41.904 CEST 2019: Number of Multiplets: 95
Wed May 08 09:13:41.919 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:13:41.982 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:13:41.997 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:13:42.044 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 09:13:42.391 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 09:13:42.406 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:13:42.435 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:13:42.436 CEST 2019: Number of consistent PNS: 1
Wed May 08 09:13:42.452 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:13:42.452 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:13:42.499 CEST 2019: Number of ASL: 8
Wed May 08 09:13:42.499 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Wed May 08 09:13:42.563 CEST 2019: Elapsed time for evaluation (IN Suite): 0.05 s.
Wed May 08 09:13:42.579 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:13:43.219 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Wed May 08 09:13:43.235 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:13:43.251 CEST 2019: CMC-q finished in 2.35 s.
