Mon May 13 14:17:03.376 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:17:03.388 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_G08\1\pdata\1
Mon May 13 14:17:03.406 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:17:03.416 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:17:03.432 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:17:03.451 CEST 2019: No HSQC data available
Mon May 13 14:17:03.471 CEST 2019: No C13 data available
Mon May 13 14:17:03.496 CEST 2019: No HMBC data available
Mon May 13 14:17:03.507 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:17:03.566 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:17:03.947 CEST 2019: Structure is used: true
Mon May 13 14:17:03.956 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_G08/1/0110705968.mol
Mon May 13 14:17:03.966 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.39 s.
Mon May 13 14:17:03.987 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:17:03.997 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:17:04.006 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:17:04.016 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:17:04.021 CEST 2019: Spectrum is suppressed.
Mon May 13 14:17:04.027 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:17:04.036 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:17:04.047 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:17:04.066 CEST 2019: Expected impurity: TSP
Mon May 13 14:17:04.077 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:17:04.086 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]
Mon May 13 14:17:04.096 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]
Mon May 13 14:17:04.107 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:17:04.116 CEST 2019: RMSD noise: 719.322 (5.250/4.751)
Mon May 13 14:17:04.128 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:17:04.136 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:17:04.146 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:17:04.196 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:17:04.426 CEST 2019: Number of Peaks: (48, 6)
Mon May 13 14:17:04.471 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 13 14:17:04.477 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:17:04.486 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:17:04.496 CEST 2019: Signal-to-Noise ratio: 5095.27 (1.241 ppm)
Mon May 13 14:17:04.512 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:17:04.521 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:17:04.531 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 13 14:17:04.571 CEST 2019: Number of Multiplets: 84
Mon May 13 14:17:04.576 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 14:17:04.672 CEST 2019: Number of Peak Cluster: 17
Mon May 13 14:17:04.682 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 14:17:04.796 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Mon May 13 14:17:05.216 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 13 14:17:05.236 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:17:05.246 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:17:05.257 CEST 2019: Number of consistent PNS: 0
Mon May 13 14:17:05.271 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 14:17:05.287 CEST 2019: Number of consistent PNS: 20
Mon May 13 14:17:05.297 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:17:05.316 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:17:05.331 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:17:06.038 CEST 2019: Elapsed time for evaluation (BU Suite): 0.75 s.
Mon May 13 14:17:06.060 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 14:17:06.069 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 14:17:06.863 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 13 14:17:06.873 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:17:06.883 CEST 2019: CMC-q finished in 3.51 s.
