Wed May 08 16:00:30.756 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:00:30.756 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_A02\1\pdata\1
Wed May 08 16:00:30.787 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:00:30.787 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:00:30.803 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:00:30.834 CEST 2019: No HSQC data available
Wed May 08 16:00:30.865 CEST 2019: No C13 data available
Wed May 08 16:00:30.912 CEST 2019: No HMBC data available
Wed May 08 16:00:30.928 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:00:30.985 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:00:31.737 CEST 2019: Structure is used: true
Wed May 08 16:00:31.768 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_A02/1/A02.mol
Wed May 08 16:00:31.768 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.78 s.
Wed May 08 16:00:31.783 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:00:31.801 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:00:31.801 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:00:31.817 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:00:31.817 CEST 2019: Spectrum is suppressed.
Wed May 08 16:00:31.833 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:00:31.833 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:00:31.848 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:00:31.864 CEST 2019: Expected impurity: TSP
Wed May 08 16:00:31.864 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:00:31.880 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 16:00:31.880 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 16:00:31.895 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:00:31.895 CEST 2019: RMSD noise: 703.319 (8.886/8.386)
Wed May 08 16:00:31.911 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:00:31.911 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:00:31.926 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:00:31.973 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:00:32.334 CEST 2019: Number of Peaks: (114, 27)
Wed May 08 16:00:32.350 CEST 2019: Elapsed time for evaluation (PP Suite): 0.37 s.
Wed May 08 16:00:32.365 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:00:32.365 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:00:32.381 CEST 2019: Signal-to-Noise ratio: 11313.33 (1.211 ppm)
Wed May 08 16:00:32.381 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:00:32.396 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:00:32.396 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.63 s.
Wed May 08 16:00:32.584 CEST 2019: Number of Multiplets: 230
Wed May 08 16:00:32.599 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.19 s.
Wed May 08 16:00:32.756 CEST 2019: Number of Peak Cluster: 23
Wed May 08 16:00:32.771 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Wed May 08 16:00:33.240 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.46 s.
Wed May 08 16:00:34.084 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.83 s.
Wed May 08 16:00:34.115 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 16:00:34.130 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:00:34.162 CEST 2019: Number of consistent PNS: 2
Wed May 08 16:00:34.177 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 16:00:34.177 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:00:44.962 CEST 2019: Number of ASL: 332
Wed May 08 16:00:44.994 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.79 s.
Wed May 08 16:00:47.640 CEST 2019: Elapsed time for evaluation (IN Suite): 2.64 s.
Wed May 08 16:00:47.660 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:00:48.338 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.69 s.
Wed May 08 16:00:48.358 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:00:48.368 CEST 2019: CMC-q finished in 17.61 s.
