Mon Jul 04 16:16:42.747 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:16:42.750 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E5_OS_Plate09_E5\1\pdata\1
Mon Jul 04 16:16:42.757 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:16:42.761 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:16:42.763 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:16:42.916 CEST 2022: No HSQC data available
Mon Jul 04 16:16:42.929 CEST 2022: No C13 data available
Mon Jul 04 16:16:42.941 CEST 2022: No HMBC data available
Mon Jul 04 16:16:42.948 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:16:42.969 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:16:43.131 CEST 2022: Structure is used: true
Mon Jul 04 16:16:43.134 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E5_OS_Plate09_E5/1/E5_OS_Plate9_E5-9ecc3cdc-5b56-4ea8-90f2-60c0cf739cf1.mol
Mon Jul 04 16:16:43.137 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:16:43.148 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:16:43.150 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:16:43.153 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:16:43.156 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:16:43.158 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:16:43.161 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:16:43.164 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:16:43.168 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:16:43.171 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:16:43.174 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:16:43.176 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:16:43.178 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 16:16:43.181 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:16:43.183 CEST 2022: RMSD noise: 30530448.947 (-0.405/-0.905)
Mon Jul 04 16:16:43.186 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:16:43.189 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:16:43.193 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:16:43.217 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:16:43.355 CEST 2022: Number of Peaks: (133, 20)
Mon Jul 04 16:16:43.380 CEST 2022: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon Jul 04 16:16:43.382 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:16:43.426 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:16:43.429 CEST 2022: Signal-to-Noise ratio: 1700.79 (7.207 ppm)
Mon Jul 04 16:16:43.431 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:16:43.434 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:43.436 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Mon Jul 04 16:16:43.480 CEST 2022: Number of Multiplets: 199
Mon Jul 04 16:16:43.483 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:16:43.541 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:16:43.547 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:16:43.564 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:16:43.780 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.21 s.
Mon Jul 04 16:16:43.789 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:16:43.794 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:16:43.798 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:16:43.801 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:16:43.804 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:16:44.271 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.46 s.
Mon Jul 04 16:16:44.466 CEST 2022: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon Jul 04 16:16:44.514 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:16:44.851 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:16:44.854 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:16:44.857 CEST 2022: CMC-q finished in 2.11 s.
