Wed May 08 09:30:32.419 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:30:32.419 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_70\1\pdata\1
Wed May 08 09:30:32.434 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:30:32.450 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:30:32.466 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:30:32.481 CEST 2019: No HSQC data available
Wed May 08 09:30:32.497 CEST 2019: No C13 data available
Wed May 08 09:30:32.512 CEST 2019: No HMBC data available
Wed May 08 09:30:32.528 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:30:32.575 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:30:32.978 CEST 2019: Structure is used: true
Wed May 08 09:30:32.994 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_70/1/78.mol
Wed May 08 09:30:32.994 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Wed May 08 09:30:33.010 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:30:33.025 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:30:33.025 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:30:33.041 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:30:33.041 CEST 2019: Spectrum is suppressed.
Wed May 08 09:30:33.056 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:30:33.056 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:30:33.072 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:30:33.088 CEST 2019: Expected impurity: TSP
Wed May 08 09:30:33.088 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:30:33.103 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 09:30:33.103 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 09:30:33.119 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:30:33.119 CEST 2019: RMSD noise: 651.016 (10.098/9.598)
Wed May 08 09:30:33.134 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:30:33.134 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:30:33.150 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:30:33.197 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:30:33.338 CEST 2019: Number of Peaks: (37, 6)
Wed May 08 09:30:33.353 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 09:30:33.353 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:30:33.369 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:30:33.369 CEST 2019: Signal-to-Noise ratio: 3594.54 (3.745 ppm)
Wed May 08 09:30:33.384 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:30:33.400 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:30:33.400 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:30:33.416 CEST 2019: Number of Multiplets: 45
Wed May 08 09:30:33.431 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 09:30:33.494 CEST 2019: Number of Peak Cluster: 20
Wed May 08 09:30:33.494 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:30:33.525 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Wed May 08 09:30:33.822 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:30:33.822 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:30:33.837 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:30:33.853 CEST 2019: Number of consistent PNS: 5
Wed May 08 09:30:33.869 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:30:33.884 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:30:33.947 CEST 2019: Number of ASL: 36
Wed May 08 09:30:33.947 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Wed May 08 09:30:34.056 CEST 2019: Elapsed time for evaluation (IN Suite): 0.10 s.
Wed May 08 09:30:34.072 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:30:34.087 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:30:34.650 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Wed May 08 09:30:34.650 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:30:34.665 CEST 2019: CMC-q finished in 2.25 s.
