Mon May 13 13:45:42.600 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:45:42.611 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_G07\1\pdata\1
Mon May 13 13:45:42.631 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:45:42.641 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:45:42.650 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:45:42.661 CEST 2019: No HSQC data available
Mon May 13 13:45:42.680 CEST 2019: No C13 data available
Mon May 13 13:45:42.700 CEST 2019: No HMBC data available
Mon May 13 13:45:42.711 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:45:42.752 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:45:43.216 CEST 2019: Structure is used: true
Mon May 13 13:45:43.241 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_G07/1/0110705777.mol
Mon May 13 13:45:43.253 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Mon May 13 13:45:43.270 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:45:43.280 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:45:43.280 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:45:43.291 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:45:43.301 CEST 2019: Spectrum is suppressed.
Mon May 13 13:45:43.311 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:45:43.320 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:45:43.320 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:45:43.340 CEST 2019: Expected impurity: TSP
Mon May 13 13:45:43.350 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:45:43.353 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 13:45:43.361 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 13:45:43.370 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:45:43.382 CEST 2019: RMSD noise: 712.847 (10.098/9.598)
Mon May 13 13:45:43.391 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:45:43.400 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:45:43.411 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:45:43.450 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:45:43.641 CEST 2019: Number of Peaks: (66, 8)
Mon May 13 13:45:43.654 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:45:43.661 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:45:43.671 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:45:43.681 CEST 2019: Signal-to-Noise ratio: 4357.21 (3.907 ppm)
Mon May 13 13:45:43.681 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:45:43.691 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:45:43.700 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 13 13:45:43.754 CEST 2019: Number of Multiplets: 137
Mon May 13 13:45:43.760 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:45:43.870 CEST 2019: Number of Peak Cluster: 24
Mon May 13 13:45:43.870 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:45:44.011 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 13:45:44.340 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 13 13:45:44.370 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:45:44.386 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:45:44.390 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:45:44.401 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:45:44.421 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:45:51.160 CEST 2019: Number of ASL: 332
Mon May 13 13:45:51.171 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.74 s.
Mon May 13 13:45:51.605 CEST 2019: Elapsed time for evaluation (IN Suite): 0.42 s.
Mon May 13 13:45:51.620 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:45:51.630 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:45:52.211 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:45:52.221 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:45:52.230 CEST 2019: CMC-q finished in 9.63 s.
