Mon Jul 04 16:53:04.503 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:53:04.506 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G9_OS_Plate06_G9\1\pdata\1
Mon Jul 04 16:53:04.513 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:53:04.517 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:53:04.520 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:53:04.560 CEST 2022: No HSQC data available
Mon Jul 04 16:53:04.571 CEST 2022: No C13 data available
Mon Jul 04 16:53:04.583 CEST 2022: No HMBC data available
Mon Jul 04 16:53:04.590 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:53:04.608 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:53:04.706 CEST 2022: Structure is used: true
Mon Jul 04 16:53:04.709 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G9_OS_Plate06_G9/1/G9_OS_Plate06_G9-dd0a606d-4cc6-43f3-babc-c0c89af3a45b.mol
Mon Jul 04 16:53:04.711 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:53:04.718 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:53:04.720 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:53:04.724 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:53:04.726 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:53:04.728 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:53:04.731 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:53:04.733 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:53:04.737 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:53:04.740 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:53:04.743 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:53:04.745 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:53:04.747 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 16:53:04.750 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:53:04.752 CEST 2022: RMSD noise: 29122127.860 (-1.222/-1.722)
Mon Jul 04 16:53:04.755 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:53:04.757 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:53:04.761 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:53:04.784 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:53:05.360 CEST 2022: Number of Peaks: (214, 24)
Mon Jul 04 16:53:05.404 CEST 2022: Elapsed time for evaluation (PP Suite): 0.62 s.
Mon Jul 04 16:53:05.407 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:53:05.416 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:53:05.418 CEST 2022: Signal-to-Noise ratio: 12800.17 (0.977 ppm)
Mon Jul 04 16:53:05.422 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:53:05.424 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:53:05.426 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.71 s.
Mon Jul 04 16:53:05.586 CEST 2022: Number of Multiplets: 432
Mon Jul 04 16:53:05.589 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.16 s.
Mon Jul 04 16:53:05.686 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:53:05.691 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon Jul 04 16:53:05.726 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 16:53:05.994 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon Jul 04 16:53:06.031 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon Jul 04 16:53:06.041 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:53:06.046 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:53:06.049 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:53:06.054 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:53:06.371 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.31 s.
Mon Jul 04 16:53:06.606 CEST 2022: Elapsed time for evaluation (IN Suite): 0.23 s.
Mon Jul 04 16:53:06.656 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:53:07.013 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:53:07.016 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:53:07.018 CEST 2022: CMC-q finished in 2.52 s.
