Wed May 08 11:52:02.966 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:52:02.981 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_19\1\pdata\1
Wed May 08 11:52:02.997 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:52:03.012 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:52:03.012 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:52:03.061 CEST 2019: No HSQC data available
Wed May 08 11:52:03.123 CEST 2019: No C13 data available
Wed May 08 11:52:03.170 CEST 2019: No HMBC data available
Wed May 08 11:52:03.170 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:52:03.234 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:52:03.816 CEST 2019: Structure is used: true
Wed May 08 11:52:03.847 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_19/1/B07.mol
Wed May 08 11:52:03.847 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.61 s.
Wed May 08 11:52:03.876 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 11:52:03.892 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:52:03.892 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:52:03.908 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:52:03.923 CEST 2019: Spectrum is suppressed.
Wed May 08 11:52:03.923 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:52:03.939 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:52:03.939 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:52:03.954 CEST 2019: Expected impurity: TSP
Wed May 08 11:52:03.970 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:52:03.986 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 11:52:03.987 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 11:52:04.003 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:52:04.003 CEST 2019: RMSD noise: 657.672 (5.250/4.751)
Wed May 08 11:52:04.018 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:52:04.034 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:52:04.050 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:52:04.081 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:52:04.424 CEST 2019: Number of Peaks: (78, 19)
Wed May 08 11:52:04.456 CEST 2019: Elapsed time for evaluation (PP Suite): 0.36 s.
Wed May 08 11:52:04.456 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:52:04.476 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:52:04.476 CEST 2019: Signal-to-Noise ratio: 2963.70 (2.242 ppm)
Wed May 08 11:52:04.492 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:52:04.508 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:52:04.508 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.65 s.
Wed May 08 11:52:04.743 CEST 2019: Number of Multiplets: 231
Wed May 08 11:52:04.743 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.22 s.
Wed May 08 11:52:04.887 CEST 2019: Number of Peak Cluster: 18
Wed May 08 11:52:04.903 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 11:52:04.996 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Wed May 08 11:52:05.496 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.49 s.
Wed May 08 11:52:05.559 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Wed May 08 11:52:05.590 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:52:05.605 CEST 2019: Number of consistent PNS: 7
Wed May 08 11:52:05.621 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 11:52:05.637 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:52:16.799 CEST 2019: Number of ASL: 422
Wed May 08 11:52:16.814 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.17 s.
Wed May 08 11:52:18.630 CEST 2019: Elapsed time for evaluation (IN Suite): 1.80 s.
Wed May 08 11:52:18.657 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:52:18.673 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:52:19.580 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.95 s.
Wed May 08 11:52:19.596 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:52:19.612 CEST 2019: CMC-q finished in 16.65 s.
