Mon May 13 14:03:40.588 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:03:40.608 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C10\1\pdata\1
Mon May 13 14:03:40.628 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:03:40.648 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:03:40.658 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:03:40.678 CEST 2019: No HSQC data available
Mon May 13 14:03:40.708 CEST 2019: No C13 data available
Mon May 13 14:03:40.728 CEST 2019: No HMBC data available
Mon May 13 14:03:40.738 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:03:40.798 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:03:41.238 CEST 2019: Structure is used: true
Mon May 13 14:03:41.288 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C10/1/0110706014.mol
Mon May 13 14:03:41.300 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Mon May 13 14:03:41.318 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:03:41.328 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:03:41.338 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:03:41.348 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:03:41.358 CEST 2019: Spectrum is suppressed.
Mon May 13 14:03:41.368 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:03:41.378 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:03:41.388 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:03:41.408 CEST 2019: Expected impurity: TSP
Mon May 13 14:03:41.418 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:03:41.428 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]
Mon May 13 14:03:41.438 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]
Mon May 13 14:03:41.448 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 14:03:41.458 CEST 2019: RMSD noise: 705.493 (5.856/5.357)
Mon May 13 14:03:41.468 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:03:41.478 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:03:41.493 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:03:41.538 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:03:41.808 CEST 2019: Number of Peaks: (56, 21)
Mon May 13 14:03:41.818 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 13 14:03:41.828 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:03:41.838 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:03:41.848 CEST 2019: Signal-to-Noise ratio: 4329.62 (1.128 ppm)
Mon May 13 14:03:41.858 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:03:41.868 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:03:41.878 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 13 14:03:41.943 CEST 2019: Number of Multiplets: 119
Mon May 13 14:03:41.948 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 14:03:42.328 CEST 2019: Number of Peak Cluster: 14
Mon May 13 14:03:42.338 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.38 s.
Mon May 13 14:03:42.468 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 13 14:03:42.958 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.49 s.
Mon May 13 14:03:42.998 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 13 14:03:43.038 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:03:43.058 CEST 2019: Number of consistent PNS: 3
Mon May 13 14:03:43.068 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:03:43.079 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 14:03:47.168 CEST 2019: Number of ASL: 47
Mon May 13 14:03:47.188 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.08 s.
Mon May 13 14:03:48.218 CEST 2019: Elapsed time for evaluation (IN Suite): 1.02 s.
Mon May 13 14:03:48.238 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:03:49.058 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Mon May 13 14:03:49.068 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:03:49.078 CEST 2019: CMC-q finished in 8.49 s.
