Wed May 08 16:23:59.646 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:23:59.661 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_G02\1\pdata\1
Wed May 08 16:23:59.677 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:23:59.692 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:23:59.708 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:23:59.755 CEST 2019: No HSQC data available
Wed May 08 16:23:59.802 CEST 2019: No C13 data available
Wed May 08 16:23:59.881 CEST 2019: No HMBC data available
Wed May 08 16:23:59.881 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:23:59.953 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:24:00.796 CEST 2019: Structure is used: true
Wed May 08 16:24:00.812 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_G02/1/G02.mol
Wed May 08 16:24:00.828 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.85 s.
Wed May 08 16:24:00.843 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:24:00.859 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:24:00.890 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:24:00.890 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:24:00.906 CEST 2019: Spectrum is suppressed.
Wed May 08 16:24:00.906 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:24:00.921 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:24:00.937 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:24:00.953 CEST 2019: Expected impurity: TSP
Wed May 08 16:24:00.953 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:24:00.968 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 16:24:00.984 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 16:24:00.984 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:24:00.999 CEST 2019: RMSD noise: 667.258 (9.492/8.992)
Wed May 08 16:24:00.999 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:24:01.015 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:24:01.032 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:24:01.082 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:24:01.414 CEST 2019: Number of Peaks: (54, 25)
Wed May 08 16:24:01.430 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Wed May 08 16:24:01.446 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:24:01.446 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:24:01.461 CEST 2019: Signal-to-Noise ratio: 701.39 (3.338 ppm)
Wed May 08 16:24:01.477 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:24:01.477 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:24:01.493 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.66 s.
Wed May 08 16:24:01.571 CEST 2019: Number of Multiplets: 133
Wed May 08 16:24:01.586 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 16:24:01.711 CEST 2019: Number of Peak Cluster: 14
Wed May 08 16:24:01.727 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 16:24:01.758 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Wed May 08 16:24:02.375 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.62 s.
Wed May 08 16:24:02.453 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Wed May 08 16:24:02.469 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:24:02.485 CEST 2019: Number of consistent PNS: 1
Wed May 08 16:24:02.485 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:24:02.500 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:24:02.563 CEST 2019: Number of ASL: 2
Wed May 08 16:24:02.578 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Wed May 08 16:24:03.490 CEST 2019: Elapsed time for evaluation (IN Suite): 0.90 s.
Wed May 08 16:24:03.507 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:24:03.523 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:24:04.337 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 16:24:04.368 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:24:04.368 CEST 2019: CMC-q finished in 4.72 s.
