Wed May 08 11:29:33.945 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:29:33.961 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_77\1\pdata\1
Wed May 08 11:29:33.977 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:29:33.992 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:29:34.008 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:29:34.055 CEST 2019: No HSQC data available
Wed May 08 11:29:34.086 CEST 2019: No C13 data available
Wed May 08 11:29:34.117 CEST 2019: No HMBC data available
Wed May 08 11:29:34.133 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:29:34.195 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:29:34.603 CEST 2019: Structure is used: true
Wed May 08 11:29:34.634 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_77/1/G05.mol
Wed May 08 11:29:34.634 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.43 s.
Wed May 08 11:29:34.681 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:29:34.697 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:29:34.697 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:29:34.712 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:29:34.728 CEST 2019: Spectrum is suppressed.
Wed May 08 11:29:34.728 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:29:34.744 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:29:34.759 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:29:34.775 CEST 2019: Expected impurity: TSP
Wed May 08 11:29:34.775 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:29:34.792 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 11:29:34.792 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 11:29:34.807 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:29:34.823 CEST 2019: RMSD noise: 744.086 (3.433/2.933)
Wed May 08 11:29:34.823 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:29:34.839 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:29:34.854 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:29:34.901 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:29:35.042 CEST 2019: Number of Peaks: (20, 12)
Wed May 08 11:29:35.042 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 11:29:35.057 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:29:35.073 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:29:35.073 CEST 2019: Signal-to-Noise ratio: 1924.12 (2.351 ppm)
Wed May 08 11:29:35.089 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:29:35.104 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:29:35.129 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Wed May 08 11:29:35.145 CEST 2019: Number of Multiplets: 25
Wed May 08 11:29:35.161 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 11:29:35.223 CEST 2019: Number of Peak Cluster: 10
Wed May 08 11:29:35.223 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 11:29:35.270 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 11:29:35.599 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 11:29:35.631 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:29:35.631 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:29:35.646 CEST 2019: Number of consistent PNS: 4
Wed May 08 11:29:35.662 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:29:35.677 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:29:35.740 CEST 2019: Number of ASL: 22
Wed May 08 11:29:35.740 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Wed May 08 11:29:36.037 CEST 2019: Elapsed time for evaluation (IN Suite): 0.28 s.
Wed May 08 11:29:36.079 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:29:36.095 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:29:36.846 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:29:36.846 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:29:36.862 CEST 2019: CMC-q finished in 2.92 s.
