Wed May 08 10:54:50.445 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:54:50.445 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_49\1\pdata\1
Wed May 08 10:54:50.476 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:54:50.476 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:54:50.492 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:54:50.523 CEST 2019: No HSQC data available
Wed May 08 10:54:50.570 CEST 2019: No C13 data available
Wed May 08 10:54:50.601 CEST 2019: No HMBC data available
Wed May 08 10:54:50.617 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:54:50.694 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 10:54:51.508 CEST 2019: Structure is used: true
Wed May 08 10:54:51.539 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_49/1/E01.mol
Wed May 08 10:54:51.555 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.85 s.
Wed May 08 10:54:51.590 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 10:54:51.606 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:54:51.606 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:54:51.621 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:54:51.637 CEST 2019: Spectrum is suppressed.
Wed May 08 10:54:51.637 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:54:51.653 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:54:51.653 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:54:51.668 CEST 2019: Expected impurity: TSP
Wed May 08 10:54:51.684 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:54:51.700 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 10:54:51.700 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 10:54:51.715 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:54:51.731 CEST 2019: RMSD noise: 650.659 (-0.812/-1.312)
Wed May 08 10:54:51.731 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:54:51.746 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:54:51.762 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:54:51.810 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:54:52.091 CEST 2019: Number of Peaks: (64, 14)
Wed May 08 10:54:52.107 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 10:54:52.107 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:54:52.123 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:54:52.138 CEST 2019: Signal-to-Noise ratio: 4701.98 (2.090 ppm)
Wed May 08 10:54:52.138 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:54:52.154 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:54:52.170 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Wed May 08 10:54:52.248 CEST 2019: Number of Multiplets: 132
Wed May 08 10:54:52.263 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 10:54:52.373 CEST 2019: Number of Peak Cluster: 15
Wed May 08 10:54:52.388 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 10:54:52.513 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 10:54:53.013 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Wed May 08 10:54:53.030 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 10:54:53.045 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:54:53.061 CEST 2019: Number of consistent PNS: 5
Wed May 08 10:54:53.077 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:54:53.092 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:55:02.910 CEST 2019: Number of ASL: 18
Wed May 08 10:55:02.925 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.82 s.
Wed May 08 10:55:03.976 CEST 2019: Elapsed time for evaluation (IN Suite): 1.03 s.
Wed May 08 10:55:04.018 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:55:04.018 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:55:04.825 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 10:55:04.841 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:55:04.856 CEST 2019: CMC-q finished in 14.41 s.
