Wed May 08 16:01:41.899 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:01:41.914 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_A06\1\pdata\1
Wed May 08 16:01:41.930 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:01:41.946 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:01:41.946 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:01:41.992 CEST 2019: No HSQC data available
Wed May 08 16:01:42.024 CEST 2019: No C13 data available
Wed May 08 16:01:42.071 CEST 2019: No HMBC data available
Wed May 08 16:01:42.086 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:01:42.149 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 16:01:42.728 CEST 2019: Structure is used: true
Wed May 08 16:01:42.728 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_A06/1/A06.mol
Wed May 08 16:01:42.744 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.59 s.
Wed May 08 16:01:42.759 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:01:42.759 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:01:42.775 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:01:42.775 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:01:42.790 CEST 2019: Spectrum is suppressed.
Wed May 08 16:01:42.806 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:01:42.806 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:01:42.822 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:01:42.822 CEST 2019: Expected impurity: TSP
Wed May 08 16:01:42.837 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:01:42.837 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 16:01:42.853 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 16:01:42.853 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:01:42.868 CEST 2019: RMSD noise: 655.221 (6.462/5.963)
Wed May 08 16:01:42.884 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:01:42.884 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:01:42.900 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:01:42.947 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:01:43.402 CEST 2019: Number of Peaks: (106, 31)
Wed May 08 16:01:43.418 CEST 2019: Elapsed time for evaluation (PP Suite): 0.47 s.
Wed May 08 16:01:43.418 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:01:43.434 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:01:43.434 CEST 2019: Signal-to-Noise ratio: 897.91 (7.911 ppm)
Wed May 08 16:01:43.449 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:01:43.449 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:01:43.465 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.72 s.
Wed May 08 16:01:44.012 CEST 2019: Number of Multiplets: 377
Wed May 08 16:01:44.027 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.55 s.
Wed May 08 16:01:44.215 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:01:44.230 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.20 s.
Wed May 08 16:01:44.433 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Wed May 08 16:01:45.220 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.78 s.
Wed May 08 16:01:45.236 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:01:45.251 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:01:45.267 CEST 2019: Number of consistent PNS: 7
Wed May 08 16:01:45.283 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:01:45.314 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:01:55.774 CEST 2019: Number of ASL: 44
Wed May 08 16:01:55.789 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.46 s.
Wed May 08 16:01:59.122 CEST 2019: Elapsed time for evaluation (IN Suite): 3.33 s.
Wed May 08 16:01:59.154 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:01:59.955 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 16:01:59.970 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:01:59.970 CEST 2019: CMC-q finished in 18.07 s.
