Wed May 08 16:13:09.507 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:13:09.523 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D06\1\pdata\1
Wed May 08 16:13:09.539 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:13:09.554 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:13:09.554 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:13:09.617 CEST 2019: No HSQC data available
Wed May 08 16:13:09.648 CEST 2019: No C13 data available
Wed May 08 16:13:09.702 CEST 2019: No HMBC data available
Wed May 08 16:13:09.717 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:13:09.790 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 16:13:10.603 CEST 2019: Structure is used: true
Wed May 08 16:13:10.603 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D06/1/D06.mol
Wed May 08 16:13:10.619 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.82 s.
Wed May 08 16:13:10.650 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:13:10.650 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:13:10.666 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:13:10.681 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:13:10.681 CEST 2019: Spectrum is suppressed.
Wed May 08 16:13:10.697 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:13:10.702 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:13:10.718 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:13:10.734 CEST 2019: Expected impurity: TSP
Wed May 08 16:13:10.734 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:13:10.749 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 16:13:10.765 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 16:13:10.765 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:13:10.781 CEST 2019: RMSD noise: 629.667 (10.704/10.204)
Wed May 08 16:13:10.796 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:13:10.796 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:13:10.812 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:13:10.859 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:13:11.172 CEST 2019: Number of Peaks: (56, 12)
Wed May 08 16:13:11.188 CEST 2019: Elapsed time for evaluation (PP Suite): 0.32 s.
Wed May 08 16:13:11.188 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:13:11.204 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:13:11.219 CEST 2019: Signal-to-Noise ratio: 4493.68 (2.199 ppm)
Wed May 08 16:13:11.219 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:13:11.235 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:13:11.250 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.62 s.
Wed May 08 16:13:11.299 CEST 2019: Number of Multiplets: 83
Wed May 08 16:13:11.299 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:13:11.492 CEST 2019: Number of Peak Cluster: 21
Wed May 08 16:13:11.507 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Wed May 08 16:13:11.666 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 16:13:12.152 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.49 s.
Wed May 08 16:13:12.183 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:13:12.198 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 16:13:12.214 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:13:12.230 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:13:12.245 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:13:18.008 CEST 2019: Number of ASL: 20
Wed May 08 16:13:18.023 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.77 s.
Wed May 08 16:13:18.496 CEST 2019: Elapsed time for evaluation (IN Suite): 0.47 s.
Wed May 08 16:13:18.528 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:13:18.543 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:13:19.325 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 16:13:19.343 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:13:19.344 CEST 2019: CMC-q finished in 9.84 s.
