Mon Jul 04 16:50:28.815 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:28.817 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A3_OS_Plate06_A3\1\pdata\1
Mon Jul 04 16:50:28.824 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:28.828 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:28.831 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:28.859 CEST 2022: No HSQC data available
Mon Jul 04 16:50:28.871 CEST 2022: No C13 data available
Mon Jul 04 16:50:28.883 CEST 2022: No HMBC data available
Mon Jul 04 16:50:28.927 CEST 2022: Elapsed time for evaluation (XD Suite): 0.04 s.
Mon Jul 04 16:50:28.955 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:50:29.035 CEST 2022: Structure is used: true
Mon Jul 04 16:50:29.038 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A3_OS_Plate06_A3/1/A3_OS_Plate06_A3-f10f6eb3-ab60-4949-a693-174e386abfba.mol
Mon Jul 04 16:50:29.041 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:50:29.056 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:29.059 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:50:29.062 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:29.064 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:29.066 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:29.069 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:29.071 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:29.076 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:29.078 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:29.081 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:29.083 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:29.085 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 16:50:29.088 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:29.090 CEST 2022: RMSD noise: 29257534.246 (-0.405/-0.905)
Mon Jul 04 16:50:29.092 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:29.095 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:29.099 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:29.123 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:29.307 CEST 2022: Number of Peaks: (172, 24)
Mon Jul 04 16:50:29.332 CEST 2022: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon Jul 04 16:50:29.335 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:29.356 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:50:29.358 CEST 2022: Signal-to-Noise ratio: 24729.19 (1.293 ppm)
Mon Jul 04 16:50:29.361 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:29.364 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:29.366 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.32 s.
Mon Jul 04 16:50:29.436 CEST 2022: Number of Multiplets: 301
Mon Jul 04 16:50:29.439 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon Jul 04 16:50:29.521 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:50:29.526 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon Jul 04 16:50:29.533 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:50:29.818 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon Jul 04 16:50:29.848 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon Jul 04 16:50:29.853 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:29.876 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:50:29.879 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon Jul 04 16:50:29.881 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:29.901 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:50:30.116 CEST 2022: Elapsed time for evaluation (IN Suite): 0.21 s.
Mon Jul 04 16:50:30.174 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:30.507 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:50:30.510 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:30.513 CEST 2022: CMC-q finished in 1.70 s.
