Mon Jul 04 16:31:09.434 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:31:09.436 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A5_OS_Plate02_A5\1\pdata\1
Mon Jul 04 16:31:09.443 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:31:09.447 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:31:09.450 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:31:09.535 CEST 2022: No HSQC data available
Mon Jul 04 16:31:09.548 CEST 2022: No C13 data available
Mon Jul 04 16:31:09.560 CEST 2022: No HMBC data available
Mon Jul 04 16:31:09.573 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:31:09.597 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:31:09.753 CEST 2022: Structure is used: true
Mon Jul 04 16:31:09.775 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A5_OS_Plate02_A5/1/A5_OS_Plate02_A5-4fbd1bf6-9274-44b0-b125-14dc071feee8.mol
Mon Jul 04 16:31:09.777 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:31:09.991 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:31:09.993 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.21 s.
Mon Jul 04 16:31:10.199 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.20 s.
Mon Jul 04 16:31:10.202 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:31:10.205 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:31:10.208 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:31:10.210 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:31:10.214 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:31:10.217 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:31:10.220 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:31:10.222 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:31:10.224 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 16:31:10.227 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:31:10.229 CEST 2022: RMSD noise: 28999353.243 (12.669/12.169)
Mon Jul 04 16:31:10.231 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:31:10.234 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:31:10.238 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:31:10.262 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:31:10.347 CEST 2022: Number of Peaks: (77, 16)
Mon Jul 04 16:31:10.351 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:31:10.353 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:31:10.367 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:31:10.369 CEST 2022: Signal-to-Noise ratio: 1544.82 (7.390 ppm)
Mon Jul 04 16:31:10.372 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:31:10.374 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:10.376 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.60 s.
Mon Jul 04 16:31:10.392 CEST 2022: Number of Multiplets: 123
Mon Jul 04 16:31:10.395 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:31:10.568 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:31:10.575 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.18 s.
Mon Jul 04 16:31:10.587 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:31:10.715 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:31:10.723 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:31:10.728 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:31:10.732 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:31:10.734 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:31:10.738 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:31:10.768 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:31:10.992 CEST 2022: Elapsed time for evaluation (IN Suite): 0.22 s.
Mon Jul 04 16:31:11.054 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:31:11.410 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:31:11.413 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:31:11.416 CEST 2022: CMC-q finished in 1.98 s.
