Wed May 08 09:15:13.420 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:15:13.420 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_13\1\pdata\1
Wed May 08 09:15:13.451 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:15:13.451 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:15:13.467 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:15:13.482 CEST 2019: No HSQC data available
Wed May 08 09:15:13.498 CEST 2019: No C13 data available
Wed May 08 09:15:13.513 CEST 2019: No HMBC data available
Wed May 08 09:15:13.529 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:15:13.560 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:15:13.857 CEST 2019: Structure is used: true
Wed May 08 09:15:13.873 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_13/1/2.mol
Wed May 08 09:15:13.873 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.31 s.
Wed May 08 09:15:13.888 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:15:13.905 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:15:13.905 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:15:13.905 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:15:13.921 CEST 2019: Spectrum is suppressed.
Wed May 08 09:15:13.921 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:15:13.937 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:15:13.944 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:15:13.960 CEST 2019: Expected impurity: TSP
Wed May 08 09:15:13.960 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:15:13.975 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 09:15:13.975 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 09:15:13.991 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:15:13.991 CEST 2019: RMSD noise: 697.293 (5.250/4.751)
Wed May 08 09:15:14.006 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:15:14.006 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:15:14.022 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:15:14.053 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:15:14.226 CEST 2019: Number of Peaks: (51, 17)
Wed May 08 09:15:14.242 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:15:14.242 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:15:14.258 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:15:14.258 CEST 2019: Signal-to-Noise ratio: 4005.61 (2.122 ppm)
Wed May 08 09:15:14.273 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:15:14.273 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:15:14.289 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:15:14.336 CEST 2019: Number of Multiplets: 132
Wed May 08 09:15:14.351 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 09:15:14.445 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:15:14.445 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:15:14.601 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 09:15:14.882 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Wed May 08 09:15:14.898 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:15:14.898 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:15:14.914 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:15:14.929 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:15:14.929 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:15:15.557 CEST 2019: Number of ASL: 185
Wed May 08 09:15:15.573 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.63 s.
Wed May 08 09:15:16.026 CEST 2019: Elapsed time for evaluation (IN Suite): 0.44 s.
Wed May 08 09:15:16.041 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:15:16.057 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:15:16.625 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Wed May 08 09:15:16.641 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:15:16.641 CEST 2019: CMC-q finished in 3.22 s.
