Mon Jul 04 16:31:17.945 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:17.947 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D5_OS_Plate02_D5\1\pdata\1
Mon Jul 04 16:31:17.954 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:17.958 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:17.961 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:17.989 CEST 2022: No HSQC data available
Mon Jul 04 16:31:18.000 CEST 2022: No C13 data available
Mon Jul 04 16:31:18.011 CEST 2022: No HMBC data available
Mon Jul 04 16:31:18.018 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:31:18.039 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:18.135 CEST 2022: Structure is used: true
Mon Jul 04 16:31:18.138 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D5_OS_Plate02_D5/1/D5_OS_Plate02_D5-f1bd9b85-b9ad-430a-812d-cad3422f9b3a.mol
Mon Jul 04 16:31:18.140 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:31:18.152 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:18.154 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:31:18.157 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:31:18.159 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:18.162 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:18.164 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:18.166 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:18.171 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:18.173 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:18.176 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:18.178 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:18.181 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 16:31:18.183 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:18.186 CEST 2022: RMSD noise: 30817182.060 (-0.405/-0.905)
Mon Jul 04 16:31:18.188 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:18.191 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:18.195 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:18.219 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:18.306 CEST 2022: Number of Peaks: (78, 8)
Mon Jul 04 16:31:18.335 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:31:18.337 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:18.373 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:31:18.375 CEST 2022: Signal-to-Noise ratio: 920.40 (6.668 ppm)
Mon Jul 04 16:31:18.378 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:18.380 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:18.383 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:31:18.402 CEST 2022: Number of Multiplets: 148
Mon Jul 04 16:31:18.405 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:31:18.452 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:31:18.458 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:31:18.475 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:31:18.604 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:31:18.614 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:31:18.619 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:18.623 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:31:18.626 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:18.628 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:18.657 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:31:18.751 CEST 2022: Elapsed time for evaluation (IN Suite): 0.09 s.
Mon Jul 04 16:31:18.826 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:19.181 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:31:19.184 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:19.187 CEST 2022: CMC-q finished in 1.24 s.
