Mon Jul 04 16:25:05.630 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:25:05.633 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A3_OS_Plate012_A3\1\pdata\1
Mon Jul 04 16:25:05.640 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:25:05.644 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:25:05.646 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:25:05.736 CEST 2022: No HSQC data available
Mon Jul 04 16:25:05.748 CEST 2022: No C13 data available
Mon Jul 04 16:25:05.761 CEST 2022: No HMBC data available
Mon Jul 04 16:25:05.768 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:25:05.789 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:25:05.901 CEST 2022: Structure is used: true
Mon Jul 04 16:25:05.919 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A3_OS_Plate012_A3/1/A3_OS_Plate12_A3-26edad66-f7c5-4dfc-a43c-8aa0c61ea277.mol
Mon Jul 04 16:25:05.921 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:25:05.932 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:25:05.934 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:25:05.937 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:25:05.939 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:25:05.942 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:25:05.944 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:25:05.946 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:25:05.951 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:25:05.953 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:25:05.957 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:25:05.959 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:25:05.962 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 16:25:05.964 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:25:05.967 CEST 2022: RMSD noise: 29261134.180 (9.400/8.900)
Mon Jul 04 16:25:05.969 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:25:05.972 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:25:05.976 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:25:06.000 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:25:06.088 CEST 2022: Number of Peaks: (82, 7)
Mon Jul 04 16:25:06.090 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:25:06.093 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:25:06.207 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.11 s.
Mon Jul 04 16:25:06.210 CEST 2022: Signal-to-Noise ratio: 2211.72 (3.442 ppm)
Mon Jul 04 16:25:06.213 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:25:06.215 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:25:06.217 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.29 s.
Mon Jul 04 16:25:06.234 CEST 2022: Number of Multiplets: 112
Mon Jul 04 16:25:06.237 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:25:06.291 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:25:06.298 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:25:06.310 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:25:06.457 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:25:06.463 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:25:06.468 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:25:06.472 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:25:06.474 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:25:06.477 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:25:08.670 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 2.19 s.
Mon Jul 04 16:25:08.742 CEST 2022: Elapsed time for evaluation (IN Suite): 0.05 s.
Mon Jul 04 16:25:08.794 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:25:09.145 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:25:09.148 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:25:09.151 CEST 2022: CMC-q finished in 3.52 s.
