Mon Jul 04 16:38:16.019 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:38:16.022 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E9_OS_Plate03_E9\1\pdata\1
Mon Jul 04 16:38:16.030 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:38:16.034 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:38:16.037 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:38:16.065 CEST 2022: No HSQC data available
Mon Jul 04 16:38:16.077 CEST 2022: No C13 data available
Mon Jul 04 16:38:16.088 CEST 2022: No HMBC data available
Mon Jul 04 16:38:16.096 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:38:16.117 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:38:16.240 CEST 2022: Structure is used: true
Mon Jul 04 16:38:16.243 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E9_OS_Plate03_E9/1/E9_OS_Plate03_E9-7812d61a-4bac-468d-8c8e-8382e10330e4.mol
Mon Jul 04 16:38:16.246 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:38:16.257 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:38:16.260 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:38:16.263 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:38:16.265 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:38:16.267 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:38:16.270 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:38:16.272 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:38:16.277 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:38:16.280 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:38:16.283 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:38:16.285 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:38:16.288 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 16:38:16.290 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:38:16.292 CEST 2022: RMSD noise: 27793468.995 (12.669/12.169)
Mon Jul 04 16:38:16.295 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:38:16.298 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:38:16.301 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:38:16.325 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:38:16.425 CEST 2022: Number of Peaks: (96, 20)
Mon Jul 04 16:38:16.428 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:38:16.431 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:38:16.444 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:38:16.447 CEST 2022: Signal-to-Noise ratio: 3771.55 (7.260 ppm)
Mon Jul 04 16:38:16.450 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:38:16.452 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:38:16.455 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:38:16.480 CEST 2022: Number of Multiplets: 161
Mon Jul 04 16:38:16.483 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:38:16.544 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:38:16.567 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon Jul 04 16:38:16.573 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:38:16.745 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:38:16.757 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:38:16.762 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:38:16.766 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:38:16.768 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:38:16.772 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:38:16.857 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:38:16.980 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon Jul 04 16:38:17.032 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:38:17.391 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:38:17.394 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:38:17.396 CEST 2022: CMC-q finished in 1.38 s.
