Mon Jul 04 16:11:56.121 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:56.124 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E6_OS_Plate01_E6\1\pdata\1
Mon Jul 04 16:11:56.132 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:56.136 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:56.139 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:56.210 CEST 2022: No HSQC data available
Mon Jul 04 16:11:56.225 CEST 2022: No C13 data available
Mon Jul 04 16:11:56.240 CEST 2022: No HMBC data available
Mon Jul 04 16:11:56.247 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:11:56.265 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:11:56.372 CEST 2022: Structure is used: true
Mon Jul 04 16:11:56.375 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E6_OS_Plate01_E6/1/E6_OS_Plate1_E6-d50ee9a0-1290-452b-832c-09868b10f774.mol
Mon Jul 04 16:11:56.377 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:11:56.384 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:56.386 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:56.390 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:11:56.392 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:56.395 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:56.397 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:56.400 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:56.404 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:56.407 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:56.410 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:56.412 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:56.415 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:11:56.417 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:56.419 CEST 2022: RMSD noise: 30722874.944 (-0.405/-0.905)
Mon Jul 04 16:11:56.422 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:56.425 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:56.429 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:56.453 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:56.559 CEST 2022: Number of Peaks: (96, 17)
Mon Jul 04 16:11:56.561 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:11:56.564 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:56.625 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:11:56.628 CEST 2022: Signal-to-Noise ratio: 3258.99 (1.295 ppm)
Mon Jul 04 16:11:56.630 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:56.633 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:56.636 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:11:56.670 CEST 2022: Number of Multiplets: 168
Mon Jul 04 16:11:56.700 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon Jul 04 16:11:56.890 CEST 2022: Number of Peak Cluster: 29
Mon Jul 04 16:11:56.896 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.19 s.
Mon Jul 04 16:11:56.910 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:11:57.064 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:11:57.075 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:11:57.080 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:57.084 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:11:57.087 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:57.090 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:11:57.185 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.09 s.
Mon Jul 04 16:11:57.448 CEST 2022: Elapsed time for evaluation (IN Suite): 0.26 s.
Mon Jul 04 16:11:57.498 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:11:57.864 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:11:57.875 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:57.878 CEST 2022: CMC-q finished in 1.76 s.
