Mon May 06 23:19:57.241 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:19:57.257 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\41\pdata\1
Mon May 06 23:19:57.272 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:19:57.288 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:19:57.304 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:19:57.319 CEST 2019: No HSQC data available
Mon May 06 23:19:57.335 CEST 2019: No C13 data available
Mon May 06 23:19:57.366 CEST 2019: No HMBC data available
Mon May 06 23:19:57.366 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:19:57.426 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:19:57.849 CEST 2019: Structure is used: true
Mon May 06 23:19:57.881 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/41/D05.mol
Mon May 06 23:19:57.881 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 06 23:19:57.896 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:19:57.912 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:19:57.927 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:19:57.927 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:19:57.943 CEST 2019: Spectrum is suppressed.
Mon May 06 23:19:57.943 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:19:57.959 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:19:57.974 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:19:57.990 CEST 2019: Expected impurity: TSP
Mon May 06 23:19:57.990 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:19:58.006 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 06 23:19:58.018 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 06 23:19:58.018 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:19:58.034 CEST 2019: RMSD noise: 741.097 (0.403/-0.097)
Mon May 06 23:19:58.049 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:19:58.049 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:19:58.065 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:19:58.112 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:19:58.269 CEST 2019: Number of Peaks: (36, 2)
Mon May 06 23:19:58.285 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 06 23:19:58.316 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:19:58.316 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:19:58.332 CEST 2019: Signal-to-Noise ratio: 493.39 (1.305 ppm)
Mon May 06 23:19:58.332 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:19:58.347 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:19:58.363 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 06 23:19:58.410 CEST 2019: Number of Multiplets: 75
Mon May 06 23:19:58.441 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 23:19:58.519 CEST 2019: Number of Peak Cluster: 11
Mon May 06 23:19:58.519 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:19:58.691 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:19:59.021 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 06 23:19:59.036 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:19:59.036 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:19:59.052 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:19:59.068 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:19:59.085 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:19:59.163 CEST 2019: Number of ASL: 7
Mon May 06 23:19:59.178 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon May 06 23:19:59.647 CEST 2019: Elapsed time for evaluation (IN Suite): 0.46 s.
Mon May 06 23:19:59.678 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:19:59.694 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:20:00.477 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 06 23:20:00.493 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:20:00.509 CEST 2019: CMC-q finished in 3.27 s.
