Wed May 08 16:10:34.594 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:10:34.609 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C09\1\pdata\1
Wed May 08 16:10:34.625 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:10:34.641 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:10:34.656 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:10:34.719 CEST 2019: No HSQC data available
Wed May 08 16:10:34.767 CEST 2019: No C13 data available
Wed May 08 16:10:34.829 CEST 2019: No HMBC data available
Wed May 08 16:10:34.845 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:10:34.907 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:10:35.611 CEST 2019: Structure is used: true
Wed May 08 16:10:35.628 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C09/1/C09.mol
Wed May 08 16:10:35.632 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.72 s.
Wed May 08 16:10:35.648 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:10:35.664 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:10:35.679 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:10:35.679 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:10:35.695 CEST 2019: Spectrum is suppressed.
Wed May 08 16:10:35.695 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:10:35.726 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:10:35.726 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:10:35.742 CEST 2019: Expected impurity: TSP
Wed May 08 16:10:35.757 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:10:35.757 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 16:10:35.773 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 16:10:35.789 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:10:35.789 CEST 2019: RMSD noise: 683.510 (6.462/5.963)
Wed May 08 16:10:35.804 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:10:35.820 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:10:35.835 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:10:35.882 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:10:36.306 CEST 2019: Number of Peaks: (101, 17)
Wed May 08 16:10:36.306 CEST 2019: Elapsed time for evaluation (PP Suite): 0.42 s.
Wed May 08 16:10:36.321 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:10:36.321 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:10:36.337 CEST 2019: Signal-to-Noise ratio: 4597.99 (2.867 ppm)
Wed May 08 16:10:36.353 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:10:36.353 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:10:36.368 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.73 s.
Wed May 08 16:10:36.588 CEST 2019: Number of Multiplets: 221
Wed May 08 16:10:36.604 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.23 s.
Wed May 08 16:10:36.777 CEST 2019: Number of Peak Cluster: 19
Wed May 08 16:10:36.777 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Wed May 08 16:10:36.949 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 16:10:37.686 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.72 s.
Wed May 08 16:10:37.717 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 16:10:37.733 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 16:10:37.748 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:10:37.764 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:10:37.779 CEST 2019: Number of consistent PNS: 25
Wed May 08 16:10:37.795 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:10:37.906 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.10 s.
Wed May 08 16:10:37.921 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:10:39.877 CEST 2019: Elapsed time for evaluation (BU Suite): 2.11 s.
Wed May 08 16:10:39.900 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:10:39.916 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:10:40.685 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 16:10:40.701 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:10:40.717 CEST 2019: CMC-q finished in 6.12 s.
