Mon May 06 23:31:18.919 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:31:18.934 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\85\pdata\1
Mon May 06 23:31:18.950 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:31:18.966 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:31:18.966 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:31:18.997 CEST 2019: No HSQC data available
Mon May 06 23:31:19.012 CEST 2019: No C13 data available
Mon May 06 23:31:19.028 CEST 2019: No HMBC data available
Mon May 06 23:31:19.044 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:31:19.092 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:31:19.983 CEST 2019: Structure is used: true
Mon May 06 23:31:19.999 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/85/H01.mol
Mon May 06 23:31:20.015 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.92 s.
Mon May 06 23:31:20.030 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:31:20.046 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:31:20.046 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:31:20.062 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:31:20.077 CEST 2019: Spectrum is suppressed.
Mon May 06 23:31:20.077 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:31:20.093 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:31:20.093 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:31:20.108 CEST 2019: Expected impurity: TSP
Mon May 06 23:31:20.124 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:31:20.140 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 23:31:20.140 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 23:31:20.155 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:31:20.171 CEST 2019: RMSD noise: 721.266 (6.462/5.963)
Mon May 06 23:31:20.171 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:31:20.187 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:31:20.202 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:31:20.249 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:31:20.401 CEST 2019: Number of Peaks: (26, 4)
Mon May 06 23:31:20.401 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 06 23:31:20.417 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:31:20.432 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:31:20.432 CEST 2019: Signal-to-Noise ratio: 16.25 (3.454 ppm)
Mon May 06 23:31:20.448 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:31:20.448 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:31:20.465 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 06 23:31:20.480 CEST 2019: CMC-assist project state: AutoGiveup
Mon May 06 23:31:20.480 CEST 2019: Initial Check Not Passed! GIVE_UP: SINO 
Mon May 06 23:31:20.576 CEST 2019: GIVE_UP: SINO
Mon May 06 23:31:20.638 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.16 s.
Mon May 06 23:31:20.638 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:31:20.654 CEST 2019: CMC-q finished in 1.74 s.