Mon Jul 04 16:23:09.006 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:23:09.008 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F9_OS_Plate011_F9\1\pdata\1
Mon Jul 04 16:23:09.016 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:23:09.019 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:23:09.022 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:23:09.062 CEST 2022: No HSQC data available
Mon Jul 04 16:23:09.072 CEST 2022: No C13 data available
Mon Jul 04 16:23:09.082 CEST 2022: No HMBC data available
Mon Jul 04 16:23:09.097 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:23:09.114 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:23:09.205 CEST 2022: Structure is used: true
Mon Jul 04 16:23:09.208 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F9_OS_Plate011_F9/1/F9_OS_Plate11_F9-8eb1b50c-2482-4059-afee-85f758211834.mol
Mon Jul 04 16:23:09.210 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:23:09.217 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:23:09.219 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:23:09.223 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:23:09.225 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:23:09.227 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:23:09.230 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:23:09.232 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:23:09.236 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:23:09.239 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:23:09.242 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:23:09.244 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:23:09.246 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 16:23:09.249 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:23:09.251 CEST 2022: RMSD noise: 29429262.102 (11.034/10.534)
Mon Jul 04 16:23:09.254 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:23:09.257 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:23:09.261 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:23:09.284 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:23:09.364 CEST 2022: Number of Peaks: (59, 9)
Mon Jul 04 16:23:09.395 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:23:09.397 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:23:09.444 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:23:09.447 CEST 2022: Signal-to-Noise ratio: 1510.92 (7.091 ppm)
Mon Jul 04 16:23:09.450 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:23:09.452 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:09.454 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:23:09.467 CEST 2022: Number of Multiplets: 99
Mon Jul 04 16:23:09.469 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:23:09.511 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:23:09.517 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:23:09.524 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:23:09.652 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:23:09.661 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:23:09.666 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:23:09.669 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:23:09.672 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:23:09.674 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:23:09.679 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:23:09.818 CEST 2022: Elapsed time for evaluation (IN Suite): 0.14 s.
Mon Jul 04 16:23:09.868 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:23:10.237 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:23:10.241 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:23:10.244 CEST 2022: CMC-q finished in 1.24 s.
