Wed May 08 16:09:00.232 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:09:00.248 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C04\1\pdata\1
Wed May 08 16:09:00.264 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:09:00.281 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:09:00.296 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:09:00.343 CEST 2019: No HSQC data available
Wed May 08 16:09:00.390 CEST 2019: No C13 data available
Wed May 08 16:09:00.437 CEST 2019: No HMBC data available
Wed May 08 16:09:00.453 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:09:00.510 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:09:01.406 CEST 2019: Structure is used: true
Wed May 08 16:09:01.438 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C04/1/C04.mol
Wed May 08 16:09:01.453 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.93 s.
Wed May 08 16:09:01.469 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:09:01.485 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:09:01.485 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:09:01.500 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:09:01.516 CEST 2019: Spectrum is suppressed.
Wed May 08 16:09:01.516 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:09:01.531 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:09:01.547 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:09:01.563 CEST 2019: Expected impurity: TSP
Wed May 08 16:09:01.563 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:09:01.578 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 16:09:01.578 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 16:09:01.595 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 16:09:01.611 CEST 2019: RMSD noise: 674.326 (-0.812/-1.312)
Wed May 08 16:09:01.611 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:09:01.627 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:09:01.642 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:09:01.689 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:09:01.894 CEST 2019: Number of Peaks: (44, 6)
Wed May 08 16:09:01.911 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Wed May 08 16:09:01.943 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:09:01.943 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:09:01.958 CEST 2019: Signal-to-Noise ratio: 605.10 (3.077 ppm)
Wed May 08 16:09:01.974 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:09:01.974 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:01.990 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Wed May 08 16:09:02.036 CEST 2019: Number of Multiplets: 87
Wed May 08 16:09:02.036 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:09:02.147 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:09:02.147 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 16:09:02.334 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Wed May 08 16:09:02.756 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 16:09:02.788 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:09:02.803 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:09:02.803 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:09:02.819 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:09:02.834 CEST 2019: Number of consistent PNS: 20
Wed May 08 16:09:02.850 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:09:02.866 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:09:02.881 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:03.607 CEST 2019: Elapsed time for evaluation (BU Suite): 0.78 s.
Wed May 08 16:09:03.638 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:09:03.653 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:09:04.435 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 16:09:04.435 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:04.450 CEST 2019: CMC-q finished in 4.22 s.
