Wed May 08 11:23:14.230 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:23:14.245 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_67\1\pdata\1
Wed May 08 11:23:14.261 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:23:14.277 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:23:14.277 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:23:14.324 CEST 2019: No HSQC data available
Wed May 08 11:23:14.355 CEST 2019: No C13 data available
Wed May 08 11:23:14.386 CEST 2019: No HMBC data available
Wed May 08 11:23:14.402 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:23:14.464 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:23:15.012 CEST 2019: Structure is used: true
Wed May 08 11:23:15.044 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_67/1/F07.mol
Wed May 08 11:23:15.068 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Wed May 08 11:23:15.089 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:23:15.089 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:23:15.104 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:23:15.120 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:23:15.120 CEST 2019: Spectrum is suppressed.
Wed May 08 11:23:15.136 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:23:15.136 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:23:15.151 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:23:15.167 CEST 2019: Expected impurity: TSP
Wed May 08 11:23:15.182 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:23:15.182 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 11:23:15.198 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 11:23:15.214 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:23:15.214 CEST 2019: RMSD noise: 675.315 (0.403/-0.097)
Wed May 08 11:23:15.229 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:23:15.245 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:23:15.245 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:23:15.309 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:23:15.512 CEST 2019: Number of Peaks: (38, 12)
Wed May 08 11:23:15.543 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 11:23:15.543 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:23:15.559 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:23:15.559 CEST 2019: Signal-to-Noise ratio: 4168.54 (2.101 ppm)
Wed May 08 11:23:15.574 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:23:15.590 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:23:15.590 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Wed May 08 11:23:15.621 CEST 2019: Number of Multiplets: 60
Wed May 08 11:23:15.637 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 11:23:15.730 CEST 2019: Number of Peak Cluster: 19
Wed May 08 11:23:15.730 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 11:23:15.824 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 11:23:16.198 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 11:23:16.213 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:23:16.228 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:23:16.244 CEST 2019: Number of consistent PNS: 4
Wed May 08 11:23:16.244 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:23:16.259 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:23:16.495 CEST 2019: Number of ASL: 190
Wed May 08 11:23:16.526 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.25 s.
Wed May 08 11:23:17.042 CEST 2019: Elapsed time for evaluation (IN Suite): 0.50 s.
Wed May 08 11:23:17.083 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:23:17.083 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:23:17.883 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 11:23:17.898 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:23:17.898 CEST 2019: CMC-q finished in 3.67 s.
