Mon Jul 04 16:49:32.977 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:49:32.980 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G10_OS_Plate05_G10\1\pdata\1
Mon Jul 04 16:49:32.987 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:49:32.991 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:49:32.994 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:49:33.037 CEST 2022: No HSQC data available
Mon Jul 04 16:49:33.050 CEST 2022: No C13 data available
Mon Jul 04 16:49:33.062 CEST 2022: No HMBC data available
Mon Jul 04 16:49:33.069 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:49:33.090 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:49:33.227 CEST 2022: Structure is used: true
Mon Jul 04 16:49:33.230 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G10_OS_Plate05_G10/1/10_OS_Plate05_G10.mol
Mon Jul 04 16:49:33.232 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:49:33.243 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:49:33.246 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:49:33.249 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:49:33.252 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:49:33.254 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:49:33.256 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:49:33.259 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:49:33.263 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:49:33.265 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:49:33.268 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:49:33.271 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:49:33.273 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 16:49:33.276 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:49:33.278 CEST 2022: RMSD noise: 27312361.779 (12.668/12.168)
Mon Jul 04 16:49:33.280 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:49:33.283 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:49:33.287 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:49:33.310 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:49:33.420 CEST 2022: Number of Peaks: (100, 24)
Mon Jul 04 16:49:33.445 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:49:33.448 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:49:33.474 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:49:33.476 CEST 2022: Signal-to-Noise ratio: 6988.37 (1.117 ppm)
Mon Jul 04 16:49:33.479 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:49:33.481 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:49:33.484 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:49:33.504 CEST 2022: Number of Multiplets: 124
Mon Jul 04 16:49:33.507 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:49:33.570 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:49:33.576 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:49:33.586 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:49:33.743 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:49:33.750 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:49:33.755 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:49:33.759 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:49:33.762 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:49:33.764 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:49:33.802 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:49:33.968 CEST 2022: Elapsed time for evaluation (IN Suite): 0.16 s.
Mon Jul 04 16:49:34.018 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:49:34.369 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:49:34.372 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:49:34.375 CEST 2022: CMC-q finished in 1.40 s.
