Wed May 08 09:29:46.258 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:29:46.274 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_69\1\pdata\1
Wed May 08 09:29:46.289 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:29:46.305 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:29:46.305 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:29:46.320 CEST 2019: No HSQC data available
Wed May 08 09:29:46.352 CEST 2019: No C13 data available
Wed May 08 09:29:46.367 CEST 2019: No HMBC data available
Wed May 08 09:29:46.367 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:29:46.414 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:29:47.306 CEST 2019: Structure is used: true
Wed May 08 09:29:47.337 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_69/1/70.mol
Wed May 08 09:29:47.337 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.92 s.
Wed May 08 09:29:47.353 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:29:47.368 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:29:47.384 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:29:47.384 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:29:47.400 CEST 2019: Spectrum is suppressed.
Wed May 08 09:29:47.400 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:29:47.415 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:29:47.415 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:29:47.431 CEST 2019: Expected impurity: TSP
Wed May 08 09:29:47.431 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:29:47.447 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 09:29:47.447 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 09:29:47.462 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:29:47.462 CEST 2019: RMSD noise: 705.540 (-0.203/-0.703)
Wed May 08 09:29:47.478 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:29:47.493 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:29:47.493 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:29:47.525 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:29:48.056 CEST 2019: Number of Peaks: (127, 60)
Wed May 08 09:29:48.072 CEST 2019: Elapsed time for evaluation (PP Suite): 0.53 s.
Wed May 08 09:29:48.087 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:29:48.087 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:29:48.103 CEST 2019: Signal-to-Noise ratio: 475.22 (1.243 ppm)
Wed May 08 09:29:48.103 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:29:48.119 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:29:48.119 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Wed May 08 09:29:48.651 CEST 2019: Number of Multiplets: 354
Wed May 08 09:29:48.651 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.53 s.
Wed May 08 09:29:48.823 CEST 2019: Number of Peak Cluster: 16
Wed May 08 09:29:48.823 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Wed May 08 09:29:49.746 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.91 s.
Wed May 08 09:29:50.590 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.84 s.
Wed May 08 09:29:50.621 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:29:50.637 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:29:50.653 CEST 2019: Number of consistent PNS: 2
Wed May 08 09:29:50.653 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:29:50.700 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Wed May 08 09:30:16.056 CEST 2019: Number of ASL: 201
Wed May 08 09:30:16.071 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 25.36 s.
Wed May 08 09:30:21.753 CEST 2019: Elapsed time for evaluation (IN Suite): 5.67 s.
Wed May 08 09:30:21.784 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:30:22.925 CEST 2019: Elapsed time for evaluation (FIN Suite): 1.15 s.
Wed May 08 09:30:22.925 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:30:22.940 CEST 2019: CMC-q finished in 36.68 s.
