Mon Jul 04 16:23:34.200 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:23:34.202 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C11_OS_Plate011_C11\1\pdata\1
Mon Jul 04 16:23:34.210 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:23:34.214 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:23:34.216 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:23:34.253 CEST 2022: No HSQC data available
Mon Jul 04 16:23:34.264 CEST 2022: No C13 data available
Mon Jul 04 16:23:34.275 CEST 2022: No HMBC data available
Mon Jul 04 16:23:34.282 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:23:34.303 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:23:34.440 CEST 2022: Structure is used: true
Mon Jul 04 16:23:34.443 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C11_OS_Plate011_C11/1/C11_OS_Plate11_C11-9fb7d527-ec53-4a0c-871c-976285d67aca.mol
Mon Jul 04 16:23:34.446 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:23:34.456 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:23:34.459 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:23:34.462 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:23:34.464 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:23:34.467 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:23:34.469 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:23:34.471 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:23:34.476 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:23:34.478 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:23:34.481 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:23:34.483 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:23:34.485 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 16:23:34.487 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:23:34.490 CEST 2022: RMSD noise: 31421061.529 (-2.040/-2.539)
Mon Jul 04 16:23:34.492 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:23:34.499 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:23:34.530 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:23:34.554 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:23:34.608 CEST 2022: Number of Peaks: (44, 18)
Mon Jul 04 16:23:34.611 CEST 2022: Elapsed time for evaluation (PP Suite): 0.05 s.
Mon Jul 04 16:23:34.614 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:23:34.640 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:23:34.644 CEST 2022: Signal-to-Noise ratio: 1648.32 (3.831 ppm)
Mon Jul 04 16:23:34.647 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:23:34.649 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:34.652 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:23:34.662 CEST 2022: Number of Multiplets: 69
Mon Jul 04 16:23:34.664 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:23:34.694 CEST 2022: Number of Peak Cluster: 19
Mon Jul 04 16:23:34.700 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:23:34.703 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:23:34.808 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.10 s.
Mon Jul 04 16:23:34.812 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:23:34.816 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:23:34.820 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:23:34.823 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:23:34.826 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:23:34.923 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.09 s.
Mon Jul 04 16:23:35.009 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:23:35.059 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:23:35.413 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:23:35.428 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:35.430 CEST 2022: CMC-q finished in 1.23 s.
