Wed May 08 10:43:06.363 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:43:06.379 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_12\1\pdata\1
Wed May 08 10:43:06.394 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:43:06.410 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:43:06.426 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:43:06.452 CEST 2019: No HSQC data available
Wed May 08 10:43:06.499 CEST 2019: No C13 data available
Wed May 08 10:43:06.530 CEST 2019: No HMBC data available
Wed May 08 10:43:06.546 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:43:06.627 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 10:43:07.114 CEST 2019: Structure is used: true
Wed May 08 10:43:07.114 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_12/1/A12.mol
Wed May 08 10:43:07.129 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Wed May 08 10:43:07.160 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:43:07.160 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:43:07.176 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:43:07.176 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:43:07.192 CEST 2019: Spectrum is suppressed.
Wed May 08 10:43:07.207 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:43:07.207 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:43:07.223 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:43:07.239 CEST 2019: Expected impurity: TSP
Wed May 08 10:43:07.254 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:43:07.254 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 10:43:07.270 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 10:43:07.285 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:43:07.285 CEST 2019: RMSD noise: 659.077 (-0.812/-1.312)
Wed May 08 10:43:07.301 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:43:07.317 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:43:07.317 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:43:07.365 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:43:07.616 CEST 2019: Number of Peaks: (56, 10)
Wed May 08 10:43:07.632 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 10:43:07.632 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:43:07.648 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:43:07.663 CEST 2019: Signal-to-Noise ratio: 6347.33 (3.798 ppm)
Wed May 08 10:43:07.663 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:43:07.679 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:43:07.694 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Wed May 08 10:43:07.741 CEST 2019: Number of Multiplets: 100
Wed May 08 10:43:07.741 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 10:43:07.852 CEST 2019: Number of Peak Cluster: 19
Wed May 08 10:43:07.852 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 10:43:07.946 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Wed May 08 10:43:08.362 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.40 s.
Wed May 08 10:43:08.409 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 10:43:08.424 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 10:43:08.424 CEST 2019: Number of consistent PNS: 0
Wed May 08 10:43:08.440 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:43:08.456 CEST 2019: Number of consistent PNS: 15
Wed May 08 10:43:08.478 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:43:08.493 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 10:43:08.509 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:43:09.739 CEST 2019: Elapsed time for evaluation (BU Suite): 1.29 s.
Wed May 08 10:43:09.786 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 10:43:09.786 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 10:43:10.600 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 10:43:10.600 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:43:10.615 CEST 2019: CMC-q finished in 4.25 s.
