Mon May 13 14:06:58.138 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:06:58.148 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D10\1\pdata\1
Mon May 13 14:06:58.168 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:06:58.178 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:06:58.191 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:06:58.208 CEST 2019: No HSQC data available
Mon May 13 14:06:58.238 CEST 2019: No C13 data available
Mon May 13 14:06:58.258 CEST 2019: No HMBC data available
Mon May 13 14:06:58.268 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:06:58.318 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:06:58.828 CEST 2019: Structure is used: true
Mon May 13 14:06:58.868 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D10/1/0110706009.mol
Mon May 13 14:06:58.878 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.55 s.
Mon May 13 14:06:58.898 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:06:58.908 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:06:58.918 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:06:58.928 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:06:58.938 CEST 2019: Spectrum is suppressed.
Mon May 13 14:06:58.948 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:06:58.958 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:06:58.968 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:06:58.983 CEST 2019: Expected impurity: TSP
Mon May 13 14:06:58.991 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:06:58.998 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 14:06:59.008 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 14:06:59.018 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:06:59.035 CEST 2019: RMSD noise: 645.088 (10.704/10.204)
Mon May 13 14:06:59.038 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:06:59.048 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:06:59.068 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:59.108 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:06:59.398 CEST 2019: Number of Peaks: (84, 17)
Mon May 13 14:06:59.408 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon May 13 14:06:59.418 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:06:59.428 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:06:59.438 CEST 2019: Signal-to-Noise ratio: 3275.00 (1.020 ppm)
Mon May 13 14:06:59.448 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:06:59.458 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:06:59.468 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Mon May 13 14:06:59.578 CEST 2019: Number of Multiplets: 173
Mon May 13 14:06:59.608 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.13 s.
Mon May 13 14:06:59.758 CEST 2019: Number of Peak Cluster: 23
Mon May 13 14:06:59.768 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon May 13 14:06:59.998 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Mon May 13 14:07:00.498 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.49 s.
Mon May 13 14:07:00.518 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:07:00.538 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 14:07:00.558 CEST 2019: Number of consistent PNS: 6
Mon May 13 14:07:00.568 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:07:00.593 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:07:00.928 CEST 2019: Number of ASL: 44
Mon May 13 14:07:00.938 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.34 s.
Mon May 13 14:07:01.633 CEST 2019: Elapsed time for evaluation (IN Suite): 0.68 s.
Mon May 13 14:07:01.653 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:07:01.668 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:07:02.438 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 13 14:07:02.458 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:07:02.468 CEST 2019: CMC-q finished in 4.33 s.
