Wed May 08 12:34:47.821 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:34:47.821 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_94\1\pdata\1
Wed May 08 12:34:47.852 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:34:47.852 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:34:47.868 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:34:47.899 CEST 2019: No HSQC data available
Wed May 08 12:34:47.930 CEST 2019: No C13 data available
Wed May 08 12:34:47.977 CEST 2019: No HMBC data available
Wed May 08 12:34:47.977 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:34:48.056 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:34:48.542 CEST 2019: Structure is used: true
Wed May 08 12:34:48.573 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_94/1/H10.mol
Wed May 08 12:34:48.588 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Wed May 08 12:34:48.619 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:34:48.635 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:34:48.635 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:34:48.650 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:34:48.650 CEST 2019: Spectrum is suppressed.
Wed May 08 12:34:48.666 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:34:48.681 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:34:48.681 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:34:48.697 CEST 2019: Expected impurity: TSP
Wed May 08 12:34:48.713 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:34:48.713 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 12:34:48.730 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 12:34:48.730 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:34:48.745 CEST 2019: RMSD noise: 681.139 (1.009/0.509)
Wed May 08 12:34:48.761 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:34:48.761 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:34:48.776 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:34:48.823 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:34:49.058 CEST 2019: Number of Peaks: (64, 15)
Wed May 08 12:34:49.058 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 12:34:49.073 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:34:49.073 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:34:49.089 CEST 2019: Signal-to-Noise ratio: 380.60 (6.262 ppm)
Wed May 08 12:34:49.089 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:34:49.105 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:34:49.120 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 12:34:49.261 CEST 2019: Number of Multiplets: 203
Wed May 08 12:34:49.291 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.18 s.
Wed May 08 12:34:49.433 CEST 2019: Number of Peak Cluster: 20
Wed May 08 12:34:49.449 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Wed May 08 12:34:49.605 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Wed May 08 12:34:49.980 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 12:34:49.996 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 12:34:50.011 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:34:50.043 CEST 2019: Number of consistent PNS: 3
Wed May 08 12:34:50.043 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:34:50.058 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 12:35:01.091 CEST 2019: Number of ASL: 402
Wed May 08 12:35:01.106 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.03 s.
Wed May 08 12:35:02.310 CEST 2019: Elapsed time for evaluation (IN Suite): 1.20 s.
Wed May 08 12:35:02.363 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:35:02.363 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 12:35:03.131 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 12:35:03.146 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:35:03.162 CEST 2019: CMC-q finished in 15.34 s.
