Wed May 08 10:48:46.551 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:48:46.567 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_32\1\pdata\1
Wed May 08 10:48:46.582 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:48:46.598 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:48:46.614 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:48:46.645 CEST 2019: No HSQC data available
Wed May 08 10:48:46.692 CEST 2019: No C13 data available
Wed May 08 10:48:46.723 CEST 2019: No HMBC data available
Wed May 08 10:48:46.740 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:48:46.793 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:48:47.936 CEST 2019: Structure is used: true
Wed May 08 10:48:47.967 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_32/1/C08.mol
Wed May 08 10:48:47.983 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.17 s.
Wed May 08 10:48:48.005 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:48:48.021 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:48:48.021 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:48:48.037 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:48:48.037 CEST 2019: Spectrum is suppressed.
Wed May 08 10:48:48.052 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:48:48.068 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:48:48.068 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:48:48.084 CEST 2019: Expected impurity: TSP
Wed May 08 10:48:48.099 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:48:48.115 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 10:48:48.115 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 10:48:48.130 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:48:48.146 CEST 2019: RMSD noise: 674.648 (6.462/5.963)
Wed May 08 10:48:48.146 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:48:48.162 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:48:48.177 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:48:48.225 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:48:48.475 CEST 2019: Number of Peaks: (52, 17)
Wed May 08 10:48:48.491 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Wed May 08 10:48:48.522 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:48:48.522 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:48:48.538 CEST 2019: Signal-to-Noise ratio: 1561.54 (1.112 ppm)
Wed May 08 10:48:48.538 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:48:48.553 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:48:48.569 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Wed May 08 10:48:48.616 CEST 2019: Number of Multiplets: 98
Wed May 08 10:48:48.632 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 10:48:48.725 CEST 2019: Number of Peak Cluster: 15
Wed May 08 10:48:48.741 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 10:48:48.866 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 10:48:49.350 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.47 s.
Wed May 08 10:48:49.381 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:48:49.396 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:48:49.428 CEST 2019: Number of consistent PNS: 6
Wed May 08 10:48:49.444 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:48:49.459 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:48:49.664 CEST 2019: Number of ASL: 30
Wed May 08 10:48:49.695 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.22 s.
Wed May 08 10:48:50.930 CEST 2019: Elapsed time for evaluation (IN Suite): 1.23 s.
Wed May 08 10:48:50.973 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:48:51.809 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.87 s.
Wed May 08 10:48:51.825 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:48:51.825 CEST 2019: CMC-q finished in 5.27 s.
