Wed May 08 16:05:18.112 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:05:18.112 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_B06\1\pdata\1
Wed May 08 16:05:18.144 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:05:18.159 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:05:18.159 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:05:18.206 CEST 2019: No HSQC data available
Wed May 08 16:05:18.270 CEST 2019: No C13 data available
Wed May 08 16:05:18.304 CEST 2019: No HMBC data available
Wed May 08 16:05:18.319 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:05:18.366 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:05:19.181 CEST 2019: Structure is used: true
Wed May 08 16:05:19.197 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_B06/1/B06.mol
Wed May 08 16:05:19.213 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.83 s.
Wed May 08 16:05:19.228 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:05:19.244 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:05:19.244 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:05:19.259 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:05:19.275 CEST 2019: Spectrum is suppressed.
Wed May 08 16:05:19.275 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:05:19.291 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:05:19.291 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:05:19.306 CEST 2019: Expected impurity: TSP
Wed May 08 16:05:19.322 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:05:19.322 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 16:05:19.338 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 16:05:19.353 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:05:19.353 CEST 2019: RMSD noise: 659.931 (9.492/8.992)
Wed May 08 16:05:19.369 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:05:19.384 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:05:19.384 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:05:19.431 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:05:19.684 CEST 2019: Number of Peaks: (59, 29)
Wed May 08 16:05:19.684 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Wed May 08 16:05:19.700 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:05:19.700 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:05:19.715 CEST 2019: Signal-to-Noise ratio: 1018.94 (7.429 ppm)
Wed May 08 16:05:19.731 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:05:19.731 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:05:19.747 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Wed May 08 16:05:19.840 CEST 2019: Number of Multiplets: 144
Wed May 08 16:05:19.856 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Wed May 08 16:05:19.965 CEST 2019: Number of Peak Cluster: 18
Wed May 08 16:05:19.965 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 16:05:20.043 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 16:05:20.475 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Wed May 08 16:05:20.491 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:05:20.507 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:05:20.522 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:05:20.538 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:05:20.553 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:05:27.904 CEST 2019: Number of ASL: 156
Wed May 08 16:05:27.920 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.36 s.
Wed May 08 16:05:28.888 CEST 2019: Elapsed time for evaluation (IN Suite): 0.96 s.
Wed May 08 16:05:28.920 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:05:28.920 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:05:29.708 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 16:05:29.724 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:05:29.724 CEST 2019: CMC-q finished in 11.61 s.
