Wed May 08 09:12:30.294 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:12:30.294 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_1\1\pdata\1
Wed May 08 09:12:30.341 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:12:30.357 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:12:30.357 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:12:30.388 CEST 2019: No HSQC data available
Wed May 08 09:12:30.404 CEST 2019: No C13 data available
Wed May 08 09:12:30.435 CEST 2019: No HMBC data available
Wed May 08 09:12:30.435 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:12:30.497 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 09:12:34.010 CEST 2019: Structure is used: true
Wed May 08 09:12:34.041 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_1/1/1.mol
Wed May 08 09:12:34.057 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 3.55 s.
Wed May 08 09:12:34.072 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:12:34.088 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:12:34.104 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:12:34.104 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:12:34.119 CEST 2019: Spectrum is suppressed.
Wed May 08 09:12:34.119 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:12:34.135 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:12:34.135 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:12:34.166 CEST 2019: Expected impurity: TSP
Wed May 08 09:12:34.182 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:12:34.182 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 09:12:34.182 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 09:12:34.197 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 09:12:34.213 CEST 2019: RMSD noise: 694.280 (10.098/9.598)
Wed May 08 09:12:34.213 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:12:34.228 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Wed May 08 09:12:34.244 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 09:12:34.291 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 09:12:34.478 CEST 2019: Number of Peaks: (30, 6)
Wed May 08 09:12:34.494 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 09:12:34.510 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:12:34.525 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 09:12:34.525 CEST 2019: Signal-to-Noise ratio: 68.02 (3.268 ppm)
Wed May 08 09:12:34.541 CEST 2019: Elapsed time for evaluation (SND Suite): 0.02 s.
Wed May 08 09:12:34.556 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:12:34.556 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 09:12:34.603 CEST 2019: Number of Multiplets: 47
Wed May 08 09:12:34.619 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:12:34.681 CEST 2019: Number of Peak Cluster: 12
Wed May 08 09:12:34.697 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:12:34.713 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Wed May 08 09:12:34.995 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Wed May 08 09:12:35.021 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:12:35.037 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:12:35.068 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:12:35.068 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 09:12:35.099 CEST 2019: Number of consistent PNS: 40
Wed May 08 09:12:35.099 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:12:35.115 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:12:35.130 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:12:35.602 CEST 2019: Elapsed time for evaluation (BU Suite): 0.53 s.
Wed May 08 09:12:35.633 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:12:35.633 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:12:36.355 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.73 s.
Wed May 08 09:12:36.355 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:12:36.572 CEST 2019: CMC-q finished in 6.29 s.
