Wed May 08 12:07:40.965 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:07:40.980 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_51\1\pdata\1
Wed May 08 12:07:40.996 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:07:41.011 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:07:41.011 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:07:41.058 CEST 2019: No HSQC data available
Wed May 08 12:07:41.107 CEST 2019: No C13 data available
Wed May 08 12:07:41.138 CEST 2019: No HMBC data available
Wed May 08 12:07:41.153 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:07:41.253 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.09 s.
Wed May 08 12:07:41.879 CEST 2019: Structure is used: true
Wed May 08 12:07:41.894 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_51/1/E03.mol
Wed May 08 12:07:41.910 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.65 s.
Wed May 08 12:07:41.945 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:07:41.961 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:07:41.961 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:07:41.976 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:07:41.976 CEST 2019: Spectrum is suppressed.
Wed May 08 12:07:41.992 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:07:42.007 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:07:42.007 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:07:42.023 CEST 2019: Expected impurity: TSP
Wed May 08 12:07:42.039 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:07:42.039 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 12:07:42.056 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 12:07:42.056 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:07:42.071 CEST 2019: RMSD noise: 671.874 (8.280/7.780)
Wed May 08 12:07:42.087 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:07:42.087 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:07:42.102 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:07:42.149 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:07:42.477 CEST 2019: Number of Peaks: (83, 15)
Wed May 08 12:07:42.477 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Wed May 08 12:07:42.493 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:07:42.509 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:07:42.509 CEST 2019: Signal-to-Noise ratio: 3922.52 (2.317 ppm)
Wed May 08 12:07:42.524 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:07:42.524 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:07:42.540 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.63 s.
Wed May 08 12:07:42.712 CEST 2019: Number of Multiplets: 218
Wed May 08 12:07:42.743 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.19 s.
Wed May 08 12:07:42.930 CEST 2019: Number of Peak Cluster: 23
Wed May 08 12:07:42.946 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.19 s.
Wed May 08 12:07:44.508 CEST 2019: Elapsed time for evaluation (IMSO Suite): 1.56 s.
Wed May 08 12:07:44.978 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Wed May 08 12:07:44.994 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:07:45.025 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:07:45.040 CEST 2019: Number of consistent PNS: 2
Wed May 08 12:07:45.056 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:07:45.072 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:07:48.417 CEST 2019: Number of ASL: 54
Wed May 08 12:07:48.432 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.35 s.
Wed May 08 12:07:50.979 CEST 2019: Elapsed time for evaluation (IN Suite): 2.54 s.
Wed May 08 12:07:51.030 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:07:51.797 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 12:07:51.812 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:07:51.812 CEST 2019: CMC-q finished in 10.85 s.
