Wed May 08 16:18:39.974 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:18:39.974 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_E08\1\pdata\1
Wed May 08 16:18:40.005 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:18:40.021 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:18:40.021 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:18:40.068 CEST 2019: No HSQC data available
Wed May 08 16:18:40.083 CEST 2019: No C13 data available
Wed May 08 16:18:40.115 CEST 2019: No HMBC data available
Wed May 08 16:18:40.130 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:18:40.194 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:18:40.484 CEST 2019: Structure is used: true
Wed May 08 16:18:40.500 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_E08/1/E08.mol
Wed May 08 16:18:40.516 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.31 s.
Wed May 08 16:18:40.531 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:18:40.547 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:18:40.562 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:18:40.562 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:18:40.578 CEST 2019: Spectrum is suppressed.
Wed May 08 16:18:40.594 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:18:40.594 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:18:40.609 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:18:40.625 CEST 2019: Expected impurity: TSP
Wed May 08 16:18:40.625 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:18:40.641 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 16:18:40.656 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 16:18:40.656 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:18:40.672 CEST 2019: RMSD noise: 677.944 (7.068/6.569)
Wed May 08 16:18:40.672 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:18:40.687 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:18:40.703 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:18:40.750 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:18:40.859 CEST 2019: Number of Peaks: (11, 6)
Wed May 08 16:18:40.875 CEST 2019: Elapsed time for evaluation (PP Suite): 0.12 s.
Wed May 08 16:18:40.891 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:18:40.906 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:18:40.906 CEST 2019: Signal-to-Noise ratio: 1481.59 (9.272 ppm)
Wed May 08 16:18:40.922 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:18:40.937 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:18:40.937 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Wed May 08 16:18:40.953 CEST 2019: Number of Multiplets: 19
Wed May 08 16:18:40.969 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 16:18:41.016 CEST 2019: Number of Peak Cluster: 7
Wed May 08 16:18:41.016 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.05 s.
Wed May 08 16:18:41.078 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:18:41.375 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 16:18:41.390 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:18:41.390 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:18:41.406 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:18:41.422 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:18:41.437 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:18:41.453 CEST 2019: Number of ASL: 13
Wed May 08 16:18:41.469 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 16:18:41.500 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Wed May 08 16:18:41.531 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:18:42.290 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Wed May 08 16:18:42.321 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:18:42.321 CEST 2019: CMC-q finished in 2.35 s.
