Mon May 13 14:22:19.626 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:22:19.636 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_H10\1\pdata\1
Mon May 13 14:22:19.666 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:22:19.676 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:22:19.686 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:22:19.706 CEST 2019: No HSQC data available
Mon May 13 14:22:19.736 CEST 2019: No C13 data available
Mon May 13 14:22:19.756 CEST 2019: No HMBC data available
Mon May 13 14:22:19.771 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:22:19.826 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:22:20.546 CEST 2019: Structure is used: true
Mon May 13 14:22:20.577 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_H10/1/0110705218.mol
Mon May 13 14:22:20.586 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.75 s.
Mon May 13 14:22:20.606 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:22:20.616 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:22:20.631 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:22:20.636 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:22:20.646 CEST 2019: Spectrum is suppressed.
Mon May 13 14:22:20.656 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:22:20.666 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:22:20.676 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:22:20.686 CEST 2019: Expected impurity: TSP
Mon May 13 14:22:20.696 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:22:20.706 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 14:22:20.720 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 14:22:20.731 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:22:20.736 CEST 2019: RMSD noise: 701.578 (7.674/7.174)
Mon May 13 14:22:20.756 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:22:20.766 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:22:20.776 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:22:20.826 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:22:21.376 CEST 2019: Number of Peaks: (101, 31)
Mon May 13 14:22:21.391 CEST 2019: Elapsed time for evaluation (PP Suite): 0.55 s.
Mon May 13 14:22:21.395 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:22:21.406 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:22:21.416 CEST 2019: Signal-to-Noise ratio: 2106.56 (1.162 ppm)
Mon May 13 14:22:21.436 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:22:21.446 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:22:21.456 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.86 s.
Mon May 13 14:22:21.876 CEST 2019: Number of Multiplets: 280
Mon May 13 14:22:21.886 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.42 s.
Mon May 13 14:22:22.586 CEST 2019: Number of Peak Cluster: 16
Mon May 13 14:22:22.606 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.71 s.
Mon May 13 14:22:22.706 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 14:22:23.696 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.98 s.
Mon May 13 14:22:23.726 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 14:22:23.736 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:22:23.761 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:22:23.766 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:22:23.825 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.05 s.
Mon May 13 14:22:39.826 CEST 2019: Number of ASL: 201
Mon May 13 14:22:39.847 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 16.01 s.
Mon May 13 14:22:43.536 CEST 2019: Elapsed time for evaluation (IN Suite): 3.68 s.
Mon May 13 14:22:43.556 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:22:43.573 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:22:44.310 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.77 s.
Mon May 13 14:22:44.326 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:22:44.336 CEST 2019: CMC-q finished in 24.71 s.
