Wed May 08 09:28:42.470 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:28:42.470 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_65\1\pdata\1
Wed May 08 09:28:42.486 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:28:42.502 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:28:42.517 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:28:42.533 CEST 2019: No HSQC data available
Wed May 08 09:28:42.548 CEST 2019: No C13 data available
Wed May 08 09:28:42.564 CEST 2019: No HMBC data available
Wed May 08 09:28:42.580 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:28:42.627 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:28:42.909 CEST 2019: Structure is used: true
Wed May 08 09:28:42.940 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_65/1/38.mol
Wed May 08 09:28:42.956 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.33 s.
Wed May 08 09:28:42.972 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:28:42.987 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:28:42.987 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:28:43.003 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:28:43.003 CEST 2019: Spectrum is suppressed.
Wed May 08 09:28:43.018 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:28:43.018 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:28:43.034 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:28:43.034 CEST 2019: Expected impurity: TSP
Wed May 08 09:28:43.050 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:28:43.050 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 09:28:43.065 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 09:28:43.065 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:28:43.081 CEST 2019: RMSD noise: 692.102 (8.280/7.780)
Wed May 08 09:28:43.081 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:28:43.097 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:28:43.112 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:28:43.143 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:28:43.300 CEST 2019: Number of Peaks: (30, 5)
Wed May 08 09:28:43.315 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:28:43.315 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:28:43.331 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:28:43.331 CEST 2019: Signal-to-Noise ratio: 1396.91 (1.181 ppm)
Wed May 08 09:28:43.347 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:28:43.347 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:28:43.362 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:28:43.393 CEST 2019: Number of Multiplets: 58
Wed May 08 09:28:43.393 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:28:43.456 CEST 2019: Number of Peak Cluster: 12
Wed May 08 09:28:43.472 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:28:43.503 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 09:28:43.803 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 09:28:43.834 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:28:43.834 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:28:43.850 CEST 2019: Number of consistent PNS: 2
Wed May 08 09:28:43.865 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:28:43.865 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:28:43.891 CEST 2019: Number of ASL: 5
Wed May 08 09:28:43.907 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Wed May 08 09:28:43.938 CEST 2019: Elapsed time for evaluation (IN Suite): 0.02 s.
Wed May 08 09:28:43.954 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:28:43.970 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:28:43.970 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:28:44.515 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Wed May 08 09:28:44.531 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:28:44.547 CEST 2019: CMC-q finished in 2.08 s.
