Mon Jul 04 16:46:15.229 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:46:15.232 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B3_OS_Plate05_B3\1\pdata\1
Mon Jul 04 16:46:15.240 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:46:15.244 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:46:15.247 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:46:15.282 CEST 2022: No HSQC data available
Mon Jul 04 16:46:15.296 CEST 2022: No C13 data available
Mon Jul 04 16:46:15.308 CEST 2022: No HMBC data available
Mon Jul 04 16:46:15.315 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:46:15.338 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:46:15.461 CEST 2022: Structure is used: true
Mon Jul 04 16:46:15.481 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B3_OS_Plate05_B3/1/3_OS_Plate05_B3.mol
Mon Jul 04 16:46:15.483 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:46:15.495 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:46:15.498 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:46:15.501 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:46:15.504 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:46:15.506 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:46:15.509 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:46:15.511 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:46:15.515 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:46:15.518 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:46:15.521 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:46:15.523 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:46:15.526 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 16:46:15.528 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:46:15.531 CEST 2022: RMSD noise: 29111280.371 (11.034/10.534)
Mon Jul 04 16:46:15.533 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:46:15.536 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:46:15.540 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:46:15.564 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:46:15.687 CEST 2022: Number of Peaks: (127, 8)
Mon Jul 04 16:46:15.691 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:46:15.693 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:46:15.707 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:46:15.710 CEST 2022: Signal-to-Noise ratio: 6046.34 (2.077 ppm)
Mon Jul 04 16:46:15.713 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:46:15.715 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:15.718 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:46:15.746 CEST 2022: Number of Multiplets: 166
Mon Jul 04 16:46:15.749 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:46:15.822 CEST 2022: Number of Peak Cluster: 40
Mon Jul 04 16:46:15.828 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon Jul 04 16:46:15.841 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:46:16.018 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:46:16.035 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:46:16.053 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:46:16.058 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:46:16.061 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:46:16.064 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:46:16.159 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.09 s.
Mon Jul 04 16:46:16.367 CEST 2022: Elapsed time for evaluation (IN Suite): 0.20 s.
Mon Jul 04 16:46:16.419 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:46:16.788 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:46:16.791 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:16.794 CEST 2022: CMC-q finished in 1.56 s.
