Wed May 08 11:33:30.457 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:33:30.473 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_85\1\pdata\1
Wed May 08 11:33:30.488 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:33:30.504 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:33:30.520 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:33:30.566 CEST 2019: No HSQC data available
Wed May 08 11:33:30.598 CEST 2019: No C13 data available
Wed May 08 11:33:30.645 CEST 2019: No HMBC data available
Wed May 08 11:33:30.660 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:33:30.723 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:33:31.161 CEST 2019: Structure is used: true
Wed May 08 11:33:31.193 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_85/1/H01.mol
Wed May 08 11:33:31.193 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Wed May 08 11:33:31.225 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:33:31.241 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:33:31.241 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:33:31.256 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:33:31.256 CEST 2019: Spectrum is suppressed.
Wed May 08 11:33:31.272 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:33:31.287 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:33:31.287 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:33:31.303 CEST 2019: Expected impurity: TSP
Wed May 08 11:33:31.319 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:33:31.336 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 11:33:31.336 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 11:33:31.351 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:33:31.351 CEST 2019: RMSD noise: 674.001 (10.704/10.204)
Wed May 08 11:33:31.367 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:33:31.382 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:33:31.398 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:33:31.445 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:33:31.648 CEST 2019: Number of Peaks: (47, 6)
Wed May 08 11:33:31.664 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 11:33:31.679 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:33:31.695 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:33:31.695 CEST 2019: Signal-to-Noise ratio: 5242.92 (3.117 ppm)
Wed May 08 11:33:31.711 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:33:31.726 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:33:31.726 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 11:33:31.768 CEST 2019: Number of Multiplets: 93
Wed May 08 11:33:31.783 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:33:31.910 CEST 2019: Number of Peak Cluster: 16
Wed May 08 11:33:31.910 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 11:33:31.979 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 11:33:32.355 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 11:33:32.387 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:33:32.402 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:33:32.418 CEST 2019: Number of consistent PNS: 4
Wed May 08 11:33:32.433 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:33:32.449 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:33:42.326 CEST 2019: Number of ASL: 136
Wed May 08 11:33:42.341 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.88 s.
Wed May 08 11:33:42.669 CEST 2019: Elapsed time for evaluation (IN Suite): 0.32 s.
Wed May 08 11:33:42.704 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:33:42.704 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:33:43.490 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:33:43.490 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:33:43.505 CEST 2019: CMC-q finished in 13.05 s.
