Wed May 08 09:23:20.171 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:23:20.186 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_42\1\pdata\1
Wed May 08 09:23:20.202 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:23:20.219 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:23:20.219 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:23:20.250 CEST 2019: No HSQC data available
Wed May 08 09:23:20.266 CEST 2019: No C13 data available
Wed May 08 09:23:20.281 CEST 2019: No HMBC data available
Wed May 08 09:23:20.297 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:23:20.344 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:23:21.137 CEST 2019: Structure is used: true
Wed May 08 09:23:21.169 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_42/1/44.mol
Wed May 08 09:23:21.169 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.82 s.
Wed May 08 09:23:21.200 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:23:21.200 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:23:21.216 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:23:21.231 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:23:21.231 CEST 2019: Spectrum is suppressed.
Wed May 08 09:23:21.247 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:23:21.262 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:23:21.278 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:23:21.294 CEST 2019: Expected impurity: TSP
Wed May 08 09:23:21.294 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:23:21.309 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 09:23:21.325 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 09:23:21.341 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 09:23:21.341 CEST 2019: RMSD noise: 655.282 (10.704/10.204)
Wed May 08 09:23:21.356 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:23:21.372 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Wed May 08 09:23:21.403 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:21.450 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 09:23:21.653 CEST 2019: Number of Peaks: (29, 21)
Wed May 08 09:23:21.653 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 09:23:21.669 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:23:21.669 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:21.684 CEST 2019: Signal-to-Noise ratio: 974.20 (4.108 ppm)
Wed May 08 09:23:21.684 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:23:21.700 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:21.700 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 09:23:21.731 CEST 2019: Number of Multiplets: 75
Wed May 08 09:23:21.747 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:23:21.799 CEST 2019: Number of Peak Cluster: 10
Wed May 08 09:23:21.799 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 09:23:21.846 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 09:23:22.159 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 09:23:22.190 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:23:22.190 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:23:22.206 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:23:22.221 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:23:22.221 CEST 2019: Number of consistent PNS: 15
Wed May 08 09:23:22.237 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:23:22.253 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:23:22.253 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:22.877 CEST 2019: Elapsed time for evaluation (BU Suite): 0.66 s.
Wed May 08 09:23:22.909 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:23:22.909 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:23:23.487 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:23:23.502 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:23.502 CEST 2019: CMC-q finished in 3.33 s.
