Mon May 13 13:37:45.651 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:37:45.662 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_E03\1\pdata\1
Mon May 13 13:37:45.681 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:37:45.691 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:37:45.701 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:37:45.721 CEST 2019: No HSQC data available
Mon May 13 13:37:45.751 CEST 2019: No C13 data available
Mon May 13 13:37:45.771 CEST 2019: No HMBC data available
Mon May 13 13:37:45.782 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:37:45.821 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:37:46.131 CEST 2019: Structure is used: true
Mon May 13 13:37:46.161 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_E03/1/0110705805.mol
Mon May 13 13:37:46.172 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.34 s.
Mon May 13 13:37:46.181 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:37:46.191 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:37:46.201 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:37:46.211 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:37:46.222 CEST 2019: Spectrum is suppressed.
Mon May 13 13:37:46.222 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:37:46.232 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:37:46.241 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:37:46.251 CEST 2019: Expected impurity: TSP
Mon May 13 13:37:46.261 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:37:46.271 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 13:37:46.282 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 13:37:46.282 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:37:46.291 CEST 2019: RMSD noise: 672.305 (-0.812/-1.312)
Mon May 13 13:37:46.302 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:37:46.312 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:37:46.322 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:37:46.361 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:37:46.641 CEST 2019: Number of Peaks: (86, 6)
Mon May 13 13:37:46.641 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon May 13 13:37:46.652 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:37:46.661 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:37:46.672 CEST 2019: Signal-to-Noise ratio: 1489.06 (7.533 ppm)
Mon May 13 13:37:46.681 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:37:46.691 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:37:46.691 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 13 13:37:46.811 CEST 2019: Number of Multiplets: 188
Mon May 13 13:37:46.821 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.11 s.
Mon May 13 13:37:46.941 CEST 2019: Number of Peak Cluster: 15
Mon May 13 13:37:46.951 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 13 13:37:47.011 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 13 13:37:47.591 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.57 s.
Mon May 13 13:37:47.641 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 13:37:47.651 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:37:47.667 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:37:47.671 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:37:47.691 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:37:47.801 CEST 2019: Number of ASL: 44
Mon May 13 13:37:47.812 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Mon May 13 13:37:49.511 CEST 2019: Elapsed time for evaluation (IN Suite): 1.69 s.
Mon May 13 13:37:49.542 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:37:50.571 CEST 2019: Elapsed time for evaluation (FIN Suite): 1.05 s.
Mon May 13 13:37:50.581 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:37:50.591 CEST 2019: CMC-q finished in 4.94 s.
