Wed May 08 16:19:10.059 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:19:10.061 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_E10\1\pdata\1
Wed May 08 16:19:10.089 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:19:10.101 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:19:10.111 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:19:10.161 CEST 2019: No HSQC data available
Wed May 08 16:19:10.192 CEST 2019: No C13 data available
Wed May 08 16:19:10.229 CEST 2019: No HMBC data available
Wed May 08 16:19:10.245 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:19:10.309 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:19:11.178 CEST 2019: Structure is used: true
Wed May 08 16:19:11.209 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_E10/1/E10.mol
Wed May 08 16:19:11.224 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.90 s.
Wed May 08 16:19:11.247 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:19:11.247 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:19:11.262 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:19:11.262 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:19:11.278 CEST 2019: Spectrum is suppressed.
Wed May 08 16:19:11.293 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:19:11.293 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:19:11.309 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:19:11.325 CEST 2019: Expected impurity: TSP
Wed May 08 16:19:11.331 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:19:11.347 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 16:19:11.347 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 16:19:11.362 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:19:11.362 CEST 2019: RMSD noise: 657.972 (-0.812/-1.312)
Wed May 08 16:19:11.378 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:19:11.394 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:19:11.394 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:19:11.447 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:19:11.611 CEST 2019: Number of Peaks: (34, 9)
Wed May 08 16:19:11.632 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 16:19:11.648 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:19:11.648 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:19:11.663 CEST 2019: Signal-to-Noise ratio: 701.65 (1.198 ppm)
Wed May 08 16:19:11.679 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:19:11.679 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:19:11.694 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 16:19:11.726 CEST 2019: Number of Multiplets: 62
Wed May 08 16:19:11.732 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:19:11.796 CEST 2019: Number of Peak Cluster: 12
Wed May 08 16:19:11.811 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 16:19:11.848 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:19:12.233 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Wed May 08 16:19:12.264 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:19:12.279 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:19:12.295 CEST 2019: Number of consistent PNS: 7
Wed May 08 16:19:12.311 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:19:12.326 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:19:29.838 CEST 2019: Number of ASL: 176
Wed May 08 16:19:29.854 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 17.52 s.
Wed May 08 16:19:30.557 CEST 2019: Elapsed time for evaluation (IN Suite): 0.69 s.
Wed May 08 16:19:30.588 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:19:30.604 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:19:31.513 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.94 s.
Wed May 08 16:19:31.513 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:19:31.528 CEST 2019: CMC-q finished in 21.47 s.
