Mon Jul 04 16:22:47.241 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:47.243 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D8_OS_Plate011_D8\1\pdata\1
Mon Jul 04 16:22:47.250 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:47.254 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:47.257 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:47.297 CEST 2022: No HSQC data available
Mon Jul 04 16:22:47.308 CEST 2022: No C13 data available
Mon Jul 04 16:22:47.319 CEST 2022: No HMBC data available
Mon Jul 04 16:22:47.326 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:22:47.348 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:47.449 CEST 2022: Structure is used: true
Mon Jul 04 16:22:47.482 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D8_OS_Plate011_D8/1/D8_OS_Plate11_D8-42188122-a9dc-48c8-b4db-a52ddb516fbc.mol
Mon Jul 04 16:22:47.485 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:22:47.495 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:47.498 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:47.501 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:47.503 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:47.506 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:47.508 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:47.510 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:47.515 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:47.517 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:47.520 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:47.522 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:47.524 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 16:22:47.527 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:47.529 CEST 2022: RMSD noise: 31254136.647 (5.315/4.815)
Mon Jul 04 16:22:47.531 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:47.534 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:47.538 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:47.562 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:47.677 CEST 2022: Number of Peaks: (97, 19)
Mon Jul 04 16:22:47.680 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:22:47.683 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:47.708 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:22:47.711 CEST 2022: Signal-to-Noise ratio: 3774.69 (2.804 ppm)
Mon Jul 04 16:22:47.714 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:47.717 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:47.719 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:22:47.753 CEST 2022: Number of Multiplets: 172
Mon Jul 04 16:22:47.756 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:22:47.956 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:22:47.962 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.20 s.
Mon Jul 04 16:22:48.037 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon Jul 04 16:22:48.192 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:22:48.205 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:22:48.222 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:48.226 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:22:48.228 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:48.231 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:48.266 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:22:48.546 CEST 2022: Elapsed time for evaluation (IN Suite): 0.28 s.
Mon Jul 04 16:22:48.593 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:48.923 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.37 s.
Mon Jul 04 16:22:48.926 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:48.929 CEST 2022: CMC-q finished in 1.69 s.
