Mon May 13 13:59:54.209 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:59:54.219 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B10\1\pdata\1
Mon May 13 13:59:54.238 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:59:54.249 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:59:54.261 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:59:54.288 CEST 2019: No HSQC data available
Mon May 13 13:59:54.309 CEST 2019: No C13 data available
Mon May 13 13:59:54.333 CEST 2019: No HMBC data available
Mon May 13 13:59:54.339 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:59:54.389 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:59:55.178 CEST 2019: Structure is used: true
Mon May 13 13:59:55.219 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B10/1/0110706033.mol
Mon May 13 13:59:55.228 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.83 s.
Mon May 13 13:59:55.258 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:59:55.269 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:59:55.279 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:59:55.289 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:59:55.299 CEST 2019: Spectrum is suppressed.
Mon May 13 13:59:55.309 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:59:55.319 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:59:55.329 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:59:55.344 CEST 2019: Expected impurity: TSP
Mon May 13 13:59:55.349 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:59:55.362 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 13:59:55.369 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 13:59:55.379 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 13:59:55.389 CEST 2019: RMSD noise: 722.135 (6.462/5.963)
Mon May 13 13:59:55.399 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:59:55.419 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:59:55.429 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:59:55.479 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:59:55.749 CEST 2019: Number of Peaks: (52, 19)
Mon May 13 13:59:55.779 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Mon May 13 13:59:55.789 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:59:55.799 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:59:55.809 CEST 2019: Signal-to-Noise ratio: 1348.74 (1.537 ppm)
Mon May 13 13:59:55.819 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:59:55.829 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:59:55.844 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Mon May 13 13:59:55.899 CEST 2019: Number of Multiplets: 104
Mon May 13 13:59:55.909 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:59:56.019 CEST 2019: Number of Peak Cluster: 19
Mon May 13 13:59:56.029 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:59:56.199 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 13 13:59:56.666 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Mon May 13 13:59:56.679 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:59:56.694 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:59:56.708 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:59:56.718 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:59:56.734 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:00:01.639 CEST 2019: Number of ASL: 215
Mon May 13 14:00:01.674 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.93 s.
Mon May 13 14:00:02.514 CEST 2019: Elapsed time for evaluation (IN Suite): 0.83 s.
Mon May 13 14:00:02.533 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:00:02.539 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:00:03.274 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 13 14:00:03.279 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:00:03.291 CEST 2019: CMC-q finished in 9.08 s.
