Mon Jul 04 16:19:10.021 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:19:10.023 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B11_OS_Plate09_B11\1\pdata\1
Mon Jul 04 16:19:10.030 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:19:10.034 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:19:10.037 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:19:10.139 CEST 2022: No HSQC data available
Mon Jul 04 16:19:10.151 CEST 2022: No C13 data available
Mon Jul 04 16:19:10.163 CEST 2022: No HMBC data available
Mon Jul 04 16:19:10.170 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:19:10.190 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:19:10.341 CEST 2022: Structure is used: true
Mon Jul 04 16:19:10.344 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B11_OS_Plate09_B11/1/B11_OS_Plate9_B11-7453c23c-2acb-44b0-8fc0-9ba82bdeb0ac.mol
Mon Jul 04 16:19:10.347 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:19:10.358 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:19:10.361 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:19:10.364 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:19:10.367 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:19:10.369 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:19:10.371 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:19:10.374 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:19:10.378 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:19:10.380 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:19:10.383 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:19:10.385 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:19:10.387 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 16:19:10.390 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:19:10.392 CEST 2022: RMSD noise: 28606285.624 (-2.040/-2.539)
Mon Jul 04 16:19:10.394 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:19:10.397 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:19:10.401 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:19:10.425 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:19:10.534 CEST 2022: Number of Peaks: (113, 10)
Mon Jul 04 16:19:10.537 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:19:10.539 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:19:10.579 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:19:10.582 CEST 2022: Signal-to-Noise ratio: 7495.32 (1.935 ppm)
Mon Jul 04 16:19:10.585 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:19:10.587 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:19:10.590 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:19:10.621 CEST 2022: Number of Multiplets: 162
Mon Jul 04 16:19:10.648 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon Jul 04 16:19:10.725 CEST 2022: Number of Peak Cluster: 40
Mon Jul 04 16:19:10.732 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon Jul 04 16:19:10.743 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:19:10.904 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:19:10.912 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:19:10.918 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:19:10.922 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:19:10.924 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:19:10.927 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:19:10.974 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:19:11.072 CEST 2022: Elapsed time for evaluation (IN Suite): 0.10 s.
Mon Jul 04 16:19:11.120 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:19:11.471 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:19:11.474 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:19:11.476 CEST 2022: CMC-q finished in 1.46 s.
