Wed May 08 12:33:51.497 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:33:51.513 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_92\1\pdata\1
Wed May 08 12:33:51.528 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:33:51.544 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:33:51.560 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:33:51.591 CEST 2019: No HSQC data available
Wed May 08 12:33:51.639 CEST 2019: No C13 data available
Wed May 08 12:33:51.686 CEST 2019: No HMBC data available
Wed May 08 12:33:51.701 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:33:51.798 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.09 s.
Wed May 08 12:33:52.533 CEST 2019: Structure is used: true
Wed May 08 12:33:52.565 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_92/1/H08.mol
Wed May 08 12:33:52.565 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.76 s.
Wed May 08 12:33:52.596 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 12:33:52.611 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:33:52.611 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:33:52.627 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:33:52.627 CEST 2019: Spectrum is suppressed.
Wed May 08 12:33:52.643 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:33:52.658 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:33:52.658 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:33:52.674 CEST 2019: Expected impurity: TSP
Wed May 08 12:33:52.691 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:33:52.707 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 12:33:52.707 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 12:33:52.722 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 12:33:52.738 CEST 2019: RMSD noise: 675.726 (10.098/9.598)
Wed May 08 12:33:52.738 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:33:52.753 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:33:52.769 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:33:52.816 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:33:53.019 CEST 2019: Number of Peaks: (47, 16)
Wed May 08 12:33:53.035 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 12:33:53.035 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:33:53.050 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:33:53.066 CEST 2019: Signal-to-Noise ratio: 4128.30 (2.839 ppm)
Wed May 08 12:33:53.066 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:33:53.081 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:33:53.097 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 12:33:53.144 CEST 2019: Number of Multiplets: 95
Wed May 08 12:33:53.144 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 12:33:53.253 CEST 2019: Number of Peak Cluster: 19
Wed May 08 12:33:53.253 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 12:33:53.331 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 12:33:53.675 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 12:33:53.722 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:33:53.737 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:33:53.753 CEST 2019: Number of consistent PNS: 6
Wed May 08 12:33:53.769 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:33:53.769 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 12:33:54.347 CEST 2019: Number of ASL: 8
Wed May 08 12:33:54.362 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.58 s.
Wed May 08 12:33:55.081 CEST 2019: Elapsed time for evaluation (IN Suite): 0.72 s.
Wed May 08 12:33:55.134 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:33:55.134 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:33:55.150 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:33:55.924 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 12:33:55.940 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:33:55.940 CEST 2019: CMC-q finished in 4.44 s.
