Mon Jul 04 16:50:20.475 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:20.477 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E2_OS_Plate06_E2\1\pdata\1
Mon Jul 04 16:50:20.485 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:20.489 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:20.491 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:20.564 CEST 2022: No HSQC data available
Mon Jul 04 16:50:20.574 CEST 2022: No C13 data available
Mon Jul 04 16:50:20.584 CEST 2022: No HMBC data available
Mon Jul 04 16:50:20.592 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:50:20.637 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon Jul 04 16:50:20.739 CEST 2022: Structure is used: true
Mon Jul 04 16:50:20.742 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E2_OS_Plate06_E2/1/E2_OS_Plate06_E2-ac4e7418-677f-4c33-9ecb-bdb74c7ecca4.mol
Mon Jul 04 16:50:20.745 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:50:21.712 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:21.714 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.97 s.
Mon Jul 04 16:50:21.717 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:21.720 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:21.722 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:21.724 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:21.726 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:21.731 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:21.733 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:21.737 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:21.739 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:21.741 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 16:50:21.743 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:21.745 CEST 2022: RMSD noise: 29789143.395 (-2.040/-2.539)
Mon Jul 04 16:50:21.748 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:21.751 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:21.755 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:21.778 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:22.019 CEST 2022: Number of Peaks: (221, 37)
Mon Jul 04 16:50:22.029 CEST 2022: Elapsed time for evaluation (PP Suite): 0.25 s.
Mon Jul 04 16:50:22.031 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:22.044 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:22.047 CEST 2022: Signal-to-Noise ratio: 18211.66 (1.162 ppm)
Mon Jul 04 16:50:22.050 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:22.053 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:22.055 CEST 2022: Elapsed time for evaluation (PRE Suite): 1.31 s.
Mon Jul 04 16:50:22.190 CEST 2022: Number of Multiplets: 401
Mon Jul 04 16:50:22.193 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.14 s.
Mon Jul 04 16:50:22.792 CEST 2022: Number of Peak Cluster: 41
Mon Jul 04 16:50:22.798 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.60 s.
Mon Jul 04 16:50:22.826 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon Jul 04 16:50:23.149 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon Jul 04 16:50:23.167 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:50:23.173 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:23.177 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:50:23.180 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:23.182 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:23.188 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:50:23.522 CEST 2022: Elapsed time for evaluation (IN Suite): 0.33 s.
Mon Jul 04 16:50:23.572 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:23.913 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:50:23.916 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:23.918 CEST 2022: CMC-q finished in 3.44 s.
