Wed May 08 10:47:58.964 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:47:58.979 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_30\1\pdata\1
Wed May 08 10:47:58.995 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:47:59.010 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:47:59.026 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:47:59.057 CEST 2019: No HSQC data available
Wed May 08 10:47:59.104 CEST 2019: No C13 data available
Wed May 08 10:47:59.151 CEST 2019: No HMBC data available
Wed May 08 10:47:59.151 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:47:59.214 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:47:59.744 CEST 2019: Structure is used: true
Wed May 08 10:47:59.761 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_30/1/C06.mol
Wed May 08 10:47:59.777 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.54 s.
Wed May 08 10:47:59.812 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 10:47:59.827 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:47:59.827 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:47:59.843 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:47:59.843 CEST 2019: Spectrum is suppressed.
Wed May 08 10:47:59.858 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:47:59.874 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:47:59.874 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:47:59.890 CEST 2019: Expected impurity: TSP
Wed May 08 10:47:59.905 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:47:59.921 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 10:47:59.921 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 10:47:59.937 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:47:59.937 CEST 2019: RMSD noise: 700.505 (5.856/5.357)
Wed May 08 10:47:59.952 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:47:59.968 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:47:59.983 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:48:00.032 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:48:00.438 CEST 2019: Number of Peaks: (77, 20)
Wed May 08 10:48:00.453 CEST 2019: Elapsed time for evaluation (PP Suite): 0.42 s.
Wed May 08 10:48:00.469 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:48:00.469 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:48:00.485 CEST 2019: Signal-to-Noise ratio: 832.92 (3.941 ppm)
Wed May 08 10:48:00.500 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:48:00.500 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:48:00.516 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.73 s.
Wed May 08 10:48:00.719 CEST 2019: Number of Multiplets: 222
Wed May 08 10:48:00.735 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.21 s.
Wed May 08 10:48:00.922 CEST 2019: Number of Peak Cluster: 13
Wed May 08 10:48:00.922 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Wed May 08 10:48:01.047 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 10:48:01.785 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.73 s.
Wed May 08 10:48:01.816 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:48:01.832 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:48:01.847 CEST 2019: Number of consistent PNS: 3
Wed May 08 10:48:01.847 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:48:01.880 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:48:21.075 CEST 2019: Number of ASL: 518
Wed May 08 10:48:21.090 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 19.20 s.
Wed May 08 10:48:23.853 CEST 2019: Elapsed time for evaluation (IN Suite): 2.75 s.
Wed May 08 10:48:23.884 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:48:23.884 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:48:24.698 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 10:48:24.713 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:48:24.713 CEST 2019: CMC-q finished in 25.75 s.
