Mon Jul 04 16:14:53.242 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:14:53.245 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B2_OS_Plate09_B2\1\pdata\1
Mon Jul 04 16:14:53.252 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:14:53.256 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:14:53.259 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:14:53.305 CEST 2022: No HSQC data available
Mon Jul 04 16:14:53.316 CEST 2022: No C13 data available
Mon Jul 04 16:14:53.327 CEST 2022: No HMBC data available
Mon Jul 04 16:14:53.335 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:14:53.356 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:14:53.475 CEST 2022: Structure is used: true
Mon Jul 04 16:14:53.478 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B2_OS_Plate09_B2/1/B2_OS_Plate9_B2-fd72a3ac-f90c-4c62-b3a7-5d18d66b0483.mol
Mon Jul 04 16:14:53.481 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:14:53.492 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:14:53.494 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:14:53.497 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:14:53.500 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:14:53.502 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:14:53.504 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:14:53.507 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:14:53.511 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:14:53.513 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:14:53.516 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:14:53.518 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:14:53.521 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 16:14:53.523 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:14:53.525 CEST 2022: RMSD noise: 28839151.853 (-2.040/-2.539)
Mon Jul 04 16:14:53.528 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:14:53.531 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:14:53.535 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:14:53.559 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:14:53.663 CEST 2022: Number of Peaks: (94, 17)
Mon Jul 04 16:14:53.666 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:14:53.668 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:14:53.695 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:14:53.697 CEST 2022: Signal-to-Noise ratio: 3218.72 (2.065 ppm)
Mon Jul 04 16:14:53.701 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:14:53.703 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:53.705 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:14:53.727 CEST 2022: Number of Multiplets: 139
Mon Jul 04 16:14:53.730 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:14:53.822 CEST 2022: Number of Peak Cluster: 39
Mon Jul 04 16:14:53.829 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:14:53.847 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:14:53.988 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:14:54.018 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:14:54.023 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:14:54.027 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:14:54.030 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:14:54.033 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:14:54.078 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:14:54.243 CEST 2022: Elapsed time for evaluation (IN Suite): 0.16 s.
Mon Jul 04 16:14:54.293 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:14:54.640 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:14:54.644 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:54.646 CEST 2022: CMC-q finished in 1.40 s.
