Wed May 08 12:14:19.237 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:14:19.237 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_63\1\pdata\1
Wed May 08 12:14:19.268 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:14:19.268 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:14:19.284 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:14:19.315 CEST 2019: No HSQC data available
Wed May 08 12:14:19.362 CEST 2019: No C13 data available
Wed May 08 12:14:19.410 CEST 2019: No HMBC data available
Wed May 08 12:14:19.441 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:14:19.517 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:14:20.049 CEST 2019: Structure is used: true
Wed May 08 12:14:20.065 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_63/1/F03.mol
Wed May 08 12:14:20.081 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.55 s.
Wed May 08 12:14:20.115 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:14:20.130 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:14:20.130 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:14:20.146 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:14:20.146 CEST 2019: Spectrum is suppressed.
Wed May 08 12:14:20.162 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:14:20.177 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:14:20.177 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:14:20.193 CEST 2019: Expected impurity: TSP
Wed May 08 12:14:20.208 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:14:20.208 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 12:14:20.224 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 12:14:20.241 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:14:20.241 CEST 2019: RMSD noise: 698.642 (-0.203/-0.703)
Wed May 08 12:14:20.257 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:14:20.272 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:14:20.272 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:14:20.319 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:14:20.522 CEST 2019: Number of Peaks: (42, 17)
Wed May 08 12:14:20.538 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 12:14:20.553 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:14:20.553 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:14:20.569 CEST 2019: Signal-to-Noise ratio: 2860.14 (1.840 ppm)
Wed May 08 12:14:20.585 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:14:20.585 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:14:20.600 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 12:14:20.616 CEST 2019: Number of Multiplets: 61
Wed May 08 12:14:20.632 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 12:14:20.721 CEST 2019: Number of Peak Cluster: 16
Wed May 08 12:14:20.736 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 12:14:20.768 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 12:14:21.176 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 12:14:21.207 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 12:14:21.223 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:14:21.239 CEST 2019: Number of consistent PNS: 3
Wed May 08 12:14:21.254 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 12:14:21.270 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 12:14:21.410 CEST 2019: Number of ASL: 20
Wed May 08 12:14:21.426 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.15 s.
Wed May 08 12:14:21.692 CEST 2019: Elapsed time for evaluation (IN Suite): 0.25 s.
Wed May 08 12:14:21.734 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:14:22.517 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 12:14:22.517 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:14:22.533 CEST 2019: CMC-q finished in 3.30 s.
