Wed May 08 09:37:09.348 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:37:09.363 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_94\1\pdata\1
Wed May 08 09:37:09.379 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:37:09.394 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:37:09.394 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:37:09.411 CEST 2019: No HSQC data available
Wed May 08 09:37:09.443 CEST 2019: No C13 data available
Wed May 08 09:37:09.458 CEST 2019: No HMBC data available
Wed May 08 09:37:09.458 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:37:09.505 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:37:10.042 CEST 2019: Structure is used: true
Wed May 08 09:37:10.073 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_94/1/80.mol
Wed May 08 09:37:10.089 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.56 s.
Wed May 08 09:37:10.104 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:37:10.104 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:37:10.120 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:37:10.120 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:37:10.135 CEST 2019: Spectrum is suppressed.
Wed May 08 09:37:10.135 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:37:10.151 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:37:10.151 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:37:10.167 CEST 2019: Expected impurity: TSP
Wed May 08 09:37:10.167 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:37:10.182 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 09:37:10.182 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 09:37:10.198 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:37:10.214 CEST 2019: RMSD noise: 691.470 (0.403/-0.097)
Wed May 08 09:37:10.214 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:37:10.232 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:37:10.232 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:37:10.279 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:37:10.436 CEST 2019: Number of Peaks: (55, 13)
Wed May 08 09:37:10.452 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:37:10.452 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:37:10.468 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:37:10.481 CEST 2019: Signal-to-Noise ratio: 196.38 (3.812 ppm)
Wed May 08 09:37:10.481 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:37:10.497 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:37:10.497 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Wed May 08 09:37:10.543 CEST 2019: Number of Multiplets: 91
Wed May 08 09:37:10.543 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:37:10.700 CEST 2019: Number of Peak Cluster: 26
Wed May 08 09:37:10.700 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 09:37:10.715 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Wed May 08 09:37:11.045 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 09:37:11.076 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:37:11.091 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:37:11.107 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:37:11.107 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:37:11.123 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:37:11.138 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:37:11.154 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:37:11.154 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:37:12.251 CEST 2019: Elapsed time for evaluation (BU Suite): 1.14 s.
Wed May 08 09:37:12.282 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:37:12.298 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:37:12.891 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 09:37:12.907 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:37:12.922 CEST 2019: CMC-q finished in 3.57 s.
