Wed May 08 12:24:49.525 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:24:49.525 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_79\1\pdata\1
Wed May 08 12:24:49.540 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:24:49.556 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:24:49.571 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:24:49.620 CEST 2019: No HSQC data available
Wed May 08 12:24:49.667 CEST 2019: No C13 data available
Wed May 08 12:24:49.713 CEST 2019: No HMBC data available
Wed May 08 12:24:49.713 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:24:49.784 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:24:50.613 CEST 2019: Structure is used: true
Wed May 08 12:24:50.644 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_79/1/G07.mol
Wed May 08 12:24:50.660 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.86 s.
Wed May 08 12:24:50.690 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.02 s.
Wed May 08 12:24:50.706 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:24:50.706 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:24:50.721 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:24:50.721 CEST 2019: Spectrum is suppressed.
Wed May 08 12:24:50.737 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:24:50.753 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:24:50.753 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:24:50.768 CEST 2019: Expected impurity: TSP
Wed May 08 12:24:50.784 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:24:50.784 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 12:24:50.801 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 12:24:50.816 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:24:50.816 CEST 2019: RMSD noise: 686.808 (6.462/5.963)
Wed May 08 12:24:50.832 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:24:50.857 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:24:50.873 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:24:50.904 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:24:51.343 CEST 2019: Number of Peaks: (82, 48)
Wed May 08 12:24:51.359 CEST 2019: Elapsed time for evaluation (PP Suite): 0.44 s.
Wed May 08 12:24:51.374 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:24:51.374 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:24:51.390 CEST 2019: Signal-to-Noise ratio: 346.26 (1.546 ppm)
Wed May 08 12:24:51.406 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:24:51.406 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:24:51.421 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.75 s.
Wed May 08 12:24:51.624 CEST 2019: Number of Multiplets: 224
Wed May 08 12:24:51.640 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.22 s.
Wed May 08 12:24:51.796 CEST 2019: Number of Peak Cluster: 16
Wed May 08 12:24:51.812 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 12:24:51.859 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 12:24:52.546 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.67 s.
Wed May 08 12:24:52.577 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 12:24:52.593 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:24:53.634 CEST 2019: Number of consistent PNS: 4
Wed May 08 12:24:53.634 CEST 2019: Elapsed time for evaluation (PNS Suite): 1.03 s.
Wed May 08 12:24:53.666 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:25:06.189 CEST 2019: Number of ASL: 201
Wed May 08 12:25:06.189 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 12.53 s.
Wed May 08 12:25:10.409 CEST 2019: Elapsed time for evaluation (IN Suite): 4.21 s.
Wed May 08 12:25:10.461 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:25:10.476 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:25:11.260 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 12:25:11.276 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:25:11.276 CEST 2019: CMC-q finished in 21.75 s.
