Mon May 13 13:31:30.475 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:31:30.482 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_C04\1\pdata\1
Mon May 13 13:31:30.502 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:31:30.512 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:31:30.524 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:31:30.543 CEST 2019: No HSQC data available
Mon May 13 13:31:30.562 CEST 2019: No C13 data available
Mon May 13 13:31:30.582 CEST 2019: No HMBC data available
Mon May 13 13:31:30.582 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:31:30.632 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:31:30.952 CEST 2019: Structure is used: true
Mon May 13 13:31:30.983 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_C04/1/0110705828.mol
Mon May 13 13:31:30.983 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 13 13:31:31.002 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:31:31.012 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:31:31.022 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:31:31.032 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:31:31.032 CEST 2019: Spectrum is suppressed.
Mon May 13 13:31:31.042 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:31:31.052 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:31:31.062 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:31:31.072 CEST 2019: Expected impurity: TSP
Mon May 13 13:31:31.082 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:31:31.082 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]
Mon May 13 13:31:31.092 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]
Mon May 13 13:31:31.102 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:31:31.112 CEST 2019: RMSD noise: 717.139 (9.492/8.992)
Mon May 13 13:31:31.122 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:31:31.132 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:31:31.142 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:31:31.182 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:31:31.382 CEST 2019: Number of Peaks: (55, 5)
Mon May 13 13:31:31.392 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 13:31:31.402 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:31:31.412 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:31:31.422 CEST 2019: Signal-to-Noise ratio: 4141.08 (2.938 ppm)
Mon May 13 13:31:31.432 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:31:31.432 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:31:31.442 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 13 13:31:31.492 CEST 2019: Number of Multiplets: 98
Mon May 13 13:31:31.492 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:31:31.582 CEST 2019: Number of Peak Cluster: 19
Mon May 13 13:31:31.592 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:31:31.752 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 13 13:31:32.167 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 13 13:31:32.202 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:31:32.212 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:31:32.222 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:31:32.232 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:31:32.242 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:31:32.352 CEST 2019: Number of ASL: 21
Mon May 13 13:31:32.363 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Mon May 13 13:31:32.512 CEST 2019: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon May 13 13:31:32.543 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:31:33.272 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 13 13:31:33.282 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:31:33.292 CEST 2019: CMC-q finished in 2.82 s.
