Mon May 13 14:21:44.276 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:21:44.296 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_H08\1\pdata\1
Mon May 13 14:21:44.325 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:21:44.336 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:21:44.346 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:21:44.376 CEST 2019: No HSQC data available
Mon May 13 14:21:44.396 CEST 2019: No C13 data available
Mon May 13 14:21:44.426 CEST 2019: No HMBC data available
Mon May 13 14:21:44.436 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:21:44.486 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:21:45.026 CEST 2019: Structure is used: true
Mon May 13 14:21:45.066 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_H08/1/0110705959.mol
Mon May 13 14:21:45.081 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Mon May 13 14:21:45.096 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:21:45.106 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:21:45.116 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:21:45.126 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:21:45.136 CEST 2019: Spectrum is suppressed.
Mon May 13 14:21:45.146 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:21:45.156 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:21:45.176 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:21:45.186 CEST 2019: Expected impurity: TSP
Mon May 13 14:21:45.196 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:21:45.206 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 14:21:45.216 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 14:21:45.226 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:21:45.236 CEST 2019: RMSD noise: 664.025 (10.704/10.204)
Mon May 13 14:21:45.246 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:21:45.266 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:21:45.276 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:21:45.325 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:21:45.601 CEST 2019: Number of Peaks: (57, 18)
Mon May 13 14:21:45.606 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon May 13 14:21:45.616 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:21:45.626 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:21:45.636 CEST 2019: Signal-to-Noise ratio: 5205.86 (3.029 ppm)
Mon May 13 14:21:45.646 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:21:45.656 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:21:45.676 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Mon May 13 14:21:45.726 CEST 2019: Number of Multiplets: 107
Mon May 13 14:21:45.736 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 14:21:45.846 CEST 2019: Number of Peak Cluster: 23
Mon May 13 14:21:45.856 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 13 14:21:45.986 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 13 14:21:46.396 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Mon May 13 14:21:46.416 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:21:46.427 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:21:46.446 CEST 2019: Number of consistent PNS: 6
Mon May 13 14:21:46.456 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:21:46.476 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:21:46.716 CEST 2019: Number of ASL: 19
Mon May 13 14:21:46.756 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.27 s.
Mon May 13 14:21:46.951 CEST 2019: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon May 13 14:21:46.966 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:21:47.716 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 13 14:21:47.726 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:21:47.736 CEST 2019: CMC-q finished in 3.46 s.
