Mon Jul 04 16:42:17.281 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:42:17.283 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H5_OS_Plate04_H5\1\pdata\1
Mon Jul 04 16:42:17.291 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:42:17.295 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:42:17.297 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:42:17.389 CEST 2022: No HSQC data available
Mon Jul 04 16:42:17.401 CEST 2022: No C13 data available
Mon Jul 04 16:42:17.413 CEST 2022: No HMBC data available
Mon Jul 04 16:42:17.424 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:42:17.453 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:42:17.572 CEST 2022: Structure is used: true
Mon Jul 04 16:42:17.574 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H5_OS_Plate04_H5/1/H5_OS_Plate04_H5-5e7d0666-1d1c-4fce-894c-760fa9731ad3.mol
Mon Jul 04 16:42:17.577 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:42:17.583 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:42:17.585 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:42:17.589 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:42:17.591 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:42:17.594 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:42:17.596 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:42:17.599 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:42:17.603 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:42:17.606 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:42:17.609 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:42:17.611 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:42:17.613 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 16:42:17.616 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:42:17.618 CEST 2022: RMSD noise: 30739705.205 (11.034/10.534)
Mon Jul 04 16:42:17.620 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:42:17.623 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:42:17.627 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:42:17.651 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:42:17.746 CEST 2022: Number of Peaks: (82, 11)
Mon Jul 04 16:42:17.776 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:42:17.779 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:42:17.799 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:42:17.801 CEST 2022: Signal-to-Noise ratio: 7630.26 (1.266 ppm)
Mon Jul 04 16:42:17.804 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:42:17.806 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:17.809 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:42:17.827 CEST 2022: Number of Multiplets: 107
Mon Jul 04 16:42:17.829 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:42:17.872 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:42:17.878 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:42:17.886 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:42:18.024 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:42:18.033 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:42:18.038 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:42:18.041 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:42:18.044 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:42:18.047 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:42:18.053 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:42:18.078 CEST 2022: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon Jul 04 16:42:18.127 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:42:18.484 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:42:18.487 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:18.489 CEST 2022: CMC-q finished in 1.21 s.
