Wed May 08 16:05:04.484 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:05:04.501 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_B05\1\pdata\1
Wed May 08 16:05:04.517 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:05:04.532 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:05:04.532 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:05:04.579 CEST 2019: No HSQC data available
Wed May 08 16:05:04.610 CEST 2019: No C13 data available
Wed May 08 16:05:04.642 CEST 2019: No HMBC data available
Wed May 08 16:05:04.657 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:05:04.716 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:05:05.186 CEST 2019: Structure is used: true
Wed May 08 16:05:05.217 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_B05/1/B05.mol
Wed May 08 16:05:05.217 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Wed May 08 16:05:05.249 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:05:05.249 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:05:05.264 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:05:05.264 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:05:05.280 CEST 2019: Spectrum is suppressed.
Wed May 08 16:05:05.296 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:05:05.296 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:05:05.311 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:05:05.327 CEST 2019: Expected impurity: TSP
Wed May 08 16:05:05.342 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:05:05.347 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 16:05:05.363 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 16:05:05.363 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:05:05.378 CEST 2019: RMSD noise: 693.690 (6.462/5.963)
Wed May 08 16:05:05.394 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:05:05.394 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:05:05.409 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:05:05.472 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 16:05:05.707 CEST 2019: Number of Peaks: (54, 13)
Wed May 08 16:05:05.707 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 16:05:05.723 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:05:05.739 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:05:05.739 CEST 2019: Signal-to-Noise ratio: 4010.02 (0.795 ppm)
Wed May 08 16:05:05.754 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:05:05.770 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:05:05.770 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 16:05:05.832 CEST 2019: Number of Multiplets: 117
Wed May 08 16:05:05.848 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 16:05:05.957 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:05:05.973 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 16:05:06.178 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Wed May 08 16:05:06.636 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Wed May 08 16:05:06.667 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Wed May 08 16:05:06.683 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:05:06.699 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:05:06.714 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:05:06.714 CEST 2019: Number of consistent PNS: 20
Wed May 08 16:05:06.730 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:05:06.777 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:05:06.777 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:05:07.857 CEST 2019: Elapsed time for evaluation (BU Suite): 1.14 s.
Wed May 08 16:05:07.873 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:05:07.888 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:05:08.669 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 16:05:08.684 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:05:08.684 CEST 2019: CMC-q finished in 4.20 s.
