Wed May 08 10:44:18.756 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:44:18.772 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_16\1\pdata\1
Wed May 08 10:44:18.803 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:44:18.819 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:44:18.834 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:44:18.865 CEST 2019: No HSQC data available
Wed May 08 10:44:18.897 CEST 2019: No C13 data available
Wed May 08 10:44:18.944 CEST 2019: No HMBC data available
Wed May 08 10:44:18.944 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:44:19.006 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:44:19.381 CEST 2019: Structure is used: true
Wed May 08 10:44:19.414 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_16/1/B04.mol
Wed May 08 10:44:19.429 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.40 s.
Wed May 08 10:44:19.450 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:44:19.465 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:44:19.465 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:44:19.481 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:44:19.481 CEST 2019: Spectrum is suppressed.
Wed May 08 10:44:19.497 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:44:19.512 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:44:19.512 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:44:19.528 CEST 2019: Expected impurity: TSP
Wed May 08 10:44:19.544 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:44:19.559 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 10:44:19.559 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 10:44:19.575 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:44:19.575 CEST 2019: RMSD noise: 655.142 (10.704/10.204)
Wed May 08 10:44:19.590 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:44:19.606 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:44:19.622 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:44:19.670 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:44:19.826 CEST 2019: Number of Peaks: (20, 13)
Wed May 08 10:44:19.826 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 10:44:19.842 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:44:19.857 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:44:19.873 CEST 2019: Signal-to-Noise ratio: 3510.34 (1.410 ppm)
Wed May 08 10:44:19.873 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:44:19.889 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:44:19.904 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Wed May 08 10:44:19.935 CEST 2019: Number of Multiplets: 25
Wed May 08 10:44:19.935 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 10:44:20.014 CEST 2019: Number of Peak Cluster: 10
Wed May 08 10:44:20.029 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 10:44:20.076 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 10:44:20.551 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Wed May 08 10:44:20.583 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:44:20.599 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:44:20.615 CEST 2019: Number of consistent PNS: 0
Wed May 08 10:44:20.630 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:44:20.646 CEST 2019: Number of consistent PNS: 15
Wed May 08 10:44:20.662 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:44:20.677 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:44:20.677 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:44:21.225 CEST 2019: Elapsed time for evaluation (BU Suite): 0.58 s.
Wed May 08 10:44:21.262 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 10:44:21.277 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 10:44:22.266 CEST 2019: Elapsed time for evaluation (FIN Suite): 1.03 s.
Wed May 08 10:44:22.281 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:44:22.297 CEST 2019: CMC-q finished in 3.54 s.
