Wed May 08 12:16:12.603 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:16:12.603 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_67\1\pdata\1
Wed May 08 12:16:12.634 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:16:12.650 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:16:12.650 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:16:12.698 CEST 2019: No HSQC data available
Wed May 08 12:16:12.729 CEST 2019: No C13 data available
Wed May 08 12:16:12.760 CEST 2019: No HMBC data available
Wed May 08 12:16:12.776 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:16:12.841 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:16:13.311 CEST 2019: Structure is used: true
Wed May 08 12:16:13.342 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_67/1/F07.mol
Wed May 08 12:16:13.357 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Wed May 08 12:16:13.396 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:16:13.411 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:16:13.411 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:16:13.427 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:16:13.442 CEST 2019: Spectrum is suppressed.
Wed May 08 12:16:13.442 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:16:13.458 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:16:13.458 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:16:13.474 CEST 2019: Expected impurity: TSP
Wed May 08 12:16:13.489 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:16:13.506 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 12:16:13.506 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 12:16:13.522 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 12:16:13.537 CEST 2019: RMSD noise: 691.273 (8.280/7.780)
Wed May 08 12:16:13.537 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:16:13.553 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:16:13.569 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:16:13.600 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:16:13.881 CEST 2019: Number of Peaks: (74, 14)
Wed May 08 12:16:13.881 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Wed May 08 12:16:13.912 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:16:13.928 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:16:13.944 CEST 2019: Signal-to-Noise ratio: 2781.69 (1.174 ppm)
Wed May 08 12:16:13.944 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:16:13.959 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:16:13.959 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Wed May 08 12:16:14.115 CEST 2019: Number of Multiplets: 210
Wed May 08 12:16:14.115 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.15 s.
Wed May 08 12:16:14.273 CEST 2019: Number of Peak Cluster: 18
Wed May 08 12:16:14.288 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 12:16:14.460 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 12:16:14.960 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.50 s.
Wed May 08 12:16:15.022 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.04 s.
Wed May 08 12:16:15.038 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:16:15.054 CEST 2019: Number of consistent PNS: 3
Wed May 08 12:16:15.054 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:16:15.085 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 12:16:22.399 CEST 2019: Number of ASL: 553
Wed May 08 12:16:22.415 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.31 s.
Wed May 08 12:16:24.008 CEST 2019: Elapsed time for evaluation (IN Suite): 1.59 s.
Wed May 08 12:16:24.055 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:16:24.070 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:16:24.853 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 12:16:24.868 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:16:24.884 CEST 2019: CMC-q finished in 12.28 s.
