Wed May 08 11:30:30.291 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:30:30.291 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_79\1\pdata\1
Wed May 08 11:30:30.322 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:30:30.338 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:30:30.338 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:30:30.385 CEST 2019: No HSQC data available
Wed May 08 11:30:30.432 CEST 2019: No C13 data available
Wed May 08 11:30:30.463 CEST 2019: No HMBC data available
Wed May 08 11:30:30.478 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:30:30.541 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 11:30:31.558 CEST 2019: Structure is used: true
Wed May 08 11:30:31.589 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_79/1/G07.mol
Wed May 08 11:30:31.604 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.05 s.
Wed May 08 11:30:31.644 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:30:31.660 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:30:31.660 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:30:31.676 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:30:31.691 CEST 2019: Spectrum is suppressed.
Wed May 08 11:30:31.691 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:30:31.707 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:30:31.723 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:30:31.738 CEST 2019: Expected impurity: TSP
Wed May 08 11:30:31.738 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:30:31.755 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 11:30:31.771 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 11:30:31.771 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:30:31.786 CEST 2019: RMSD noise: 696.604 (1.009/0.509)
Wed May 08 11:30:31.802 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:30:31.818 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:30:31.833 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:30:31.880 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:30:32.067 CEST 2019: Number of Peaks: (49, 4)
Wed May 08 11:30:32.083 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 11:30:32.099 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:30:32.099 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:30:32.114 CEST 2019: Signal-to-Noise ratio: 267.98 (3.684 ppm)
Wed May 08 11:30:32.130 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:30:32.130 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:30:32.146 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Wed May 08 11:30:32.208 CEST 2019: Number of Multiplets: 120
Wed May 08 11:30:32.224 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 11:30:32.317 CEST 2019: Number of Peak Cluster: 15
Wed May 08 11:30:32.317 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 11:30:32.442 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 11:30:32.849 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Wed May 08 11:30:32.895 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:30:32.911 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:30:32.927 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:30:32.942 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:30:32.974 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:30:33.906 CEST 2019: Number of ASL: 70
Wed May 08 11:30:33.922 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.94 s.
Wed May 08 11:30:34.828 CEST 2019: Elapsed time for evaluation (IN Suite): 0.90 s.
Wed May 08 11:30:34.884 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:30:34.900 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:30:35.729 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.89 s.
Wed May 08 11:30:35.745 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:30:35.760 CEST 2019: CMC-q finished in 5.47 s.
