Mon Jul 04 16:47:13.350 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:47:13.353 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E5_OS_Plate05_E5\1\pdata\1
Mon Jul 04 16:47:13.361 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:47:13.365 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:47:13.367 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:47:14.210 CEST 2022: No HSQC data available
Mon Jul 04 16:47:14.223 CEST 2022: No C13 data available
Mon Jul 04 16:47:14.235 CEST 2022: No HMBC data available
Mon Jul 04 16:47:14.252 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:47:18.078 CEST 2022: Elapsed time for evaluation (SPD Suite): 3.82 s.
Mon Jul 04 16:47:18.178 CEST 2022: Structure is used: true
Mon Jul 04 16:47:18.198 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E5_OS_Plate05_E5/1/5_OS_Plate05_E5.mol
Mon Jul 04 16:47:18.201 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:47:18.344 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:47:18.347 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.14 s.
Mon Jul 04 16:47:18.351 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:47:18.353 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:47:18.356 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:47:18.358 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:47:18.361 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:47:18.366 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:47:18.368 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:47:18.371 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:47:18.374 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:47:18.376 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 16:47:18.378 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:47:18.381 CEST 2022: RMSD noise: 30342201.309 (-0.405/-0.905)
Mon Jul 04 16:47:18.383 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:47:18.386 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:47:18.390 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:47:18.413 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:47:18.492 CEST 2022: Number of Peaks: (71, 8)
Mon Jul 04 16:47:18.496 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:47:18.498 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:47:18.538 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:47:18.541 CEST 2022: Signal-to-Noise ratio: 6478.27 (1.121 ppm)
Mon Jul 04 16:47:18.544 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:47:18.546 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:18.548 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.34 s.
Mon Jul 04 16:47:18.562 CEST 2022: Number of Multiplets: 81
Mon Jul 04 16:47:18.564 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:47:18.608 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:47:18.614 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:47:18.619 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:47:18.756 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:47:18.762 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:47:18.767 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:47:18.770 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:47:18.772 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:47:18.776 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:47:18.779 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:47:18.782 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:47:18.784 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:19.235 CEST 2022: Elapsed time for evaluation (BU Suite): 0.46 s.
Mon Jul 04 16:47:19.284 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:47:19.287 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:47:19.637 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:47:19.640 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:47:19.643 CEST 2022: CMC-q finished in 6.29 s.
