Wed May 08 11:27:46.474 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:27:46.490 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_74\1\pdata\1
Wed May 08 11:27:46.505 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:27:46.521 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:27:46.537 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:27:46.584 CEST 2019: No HSQC data available
Wed May 08 11:27:46.615 CEST 2019: No C13 data available
Wed May 08 11:27:46.646 CEST 2019: No HMBC data available
Wed May 08 11:27:46.662 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:27:46.755 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.08 s.
Wed May 08 11:27:47.147 CEST 2019: Structure is used: true
Wed May 08 11:27:47.163 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_74/1/G02.mol
Wed May 08 11:27:47.163 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.40 s.
Wed May 08 11:27:47.193 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:27:47.209 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:27:47.209 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:27:47.224 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:27:47.240 CEST 2019: Spectrum is suppressed.
Wed May 08 11:27:47.240 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:27:47.256 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:27:47.271 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:27:47.287 CEST 2019: Expected impurity: TSP
Wed May 08 11:27:47.302 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:27:47.304 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 11:27:47.319 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 11:27:47.319 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:27:47.335 CEST 2019: RMSD noise: 702.039 (10.098/9.598)
Wed May 08 11:27:47.351 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:27:47.366 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:27:47.366 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:27:47.414 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:27:47.556 CEST 2019: Number of Peaks: (25, 6)
Wed May 08 11:27:47.572 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 11:27:47.588 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:27:47.588 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:27:47.603 CEST 2019: Signal-to-Noise ratio: 2634.95 (2.313 ppm)
Wed May 08 11:27:47.619 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:27:47.619 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:27:47.634 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 11:27:47.681 CEST 2019: Number of Multiplets: 58
Wed May 08 11:27:47.681 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:27:47.759 CEST 2019: Number of Peak Cluster: 9
Wed May 08 11:27:47.775 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 11:27:47.962 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Wed May 08 11:27:48.291 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 11:27:48.322 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:27:48.337 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:27:48.353 CEST 2019: Number of consistent PNS: 2
Wed May 08 11:27:48.353 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:27:48.384 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:27:48.494 CEST 2019: Number of ASL: 27
Wed May 08 11:27:48.509 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Wed May 08 11:27:48.712 CEST 2019: Elapsed time for evaluation (IN Suite): 0.21 s.
Wed May 08 11:27:48.750 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:27:48.766 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:27:49.548 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 11:27:49.564 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:27:49.579 CEST 2019: CMC-q finished in 3.10 s.
