Mon May 06 23:01:18.284 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:01:18.284 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\72\pdata\1
Mon May 06 23:01:18.315 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:01:18.315 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:01:18.331 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:01:18.346 CEST 2019: No HSQC data available
Mon May 06 23:01:18.378 CEST 2019: No C13 data available
Mon May 06 23:01:18.393 CEST 2019: No HMBC data available
Mon May 06 23:01:18.409 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:01:18.456 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:01:19.004 CEST 2019: Structure is used: true
Mon May 06 23:01:19.019 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/72/F12.mol
Mon May 06 23:01:19.035 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.57 s.
Mon May 06 23:01:19.050 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:01:19.066 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:01:19.066 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:01:19.082 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:01:19.097 CEST 2019: Spectrum is suppressed.
Mon May 06 23:01:19.097 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:01:19.113 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:01:19.113 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:01:19.129 CEST 2019: Expected impurity: TSP
Mon May 06 23:01:19.144 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:01:19.160 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 06 23:01:19.160 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 06 23:01:19.175 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:01:19.191 CEST 2019: RMSD noise: 660.268 (9.492/8.992)
Mon May 06 23:01:19.191 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:01:19.207 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:01:19.222 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:19.269 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:01:19.410 CEST 2019: Number of Peaks: (28, 12)
Mon May 06 23:01:19.425 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 06 23:01:19.441 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:01:19.457 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:19.457 CEST 2019: Signal-to-Noise ratio: 2569.73 (5.899 ppm)
Mon May 06 23:01:19.472 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:01:19.488 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:19.488 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 06 23:01:19.519 CEST 2019: Number of Multiplets: 37
Mon May 06 23:01:19.519 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 06 23:01:19.597 CEST 2019: Number of Peak Cluster: 15
Mon May 06 23:01:19.597 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:01:19.643 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon May 06 23:01:20.004 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 06 23:01:20.035 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:01:20.051 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:01:20.068 CEST 2019: Number of consistent PNS: 2
Mon May 06 23:01:20.083 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:01:20.099 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:01:22.818 CEST 2019: Number of ASL: 2
Mon May 06 23:01:22.834 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.74 s.
Mon May 06 23:01:22.881 CEST 2019: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon May 06 23:01:22.896 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:01:22.912 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:01:23.630 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Mon May 06 23:01:23.630 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:23.646 CEST 2019: CMC-q finished in 5.36 s.
