File name: Pandora53s1_Potchefstroom-METSI_20230705_L2Fit_fout2c0d20220413p1-8.txt File generation date: 20230708T090610.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c0p1-8 Local principal investigator: Stuart Piketh Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 53 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v103d20220413.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20230705_L1_smca1c0d20220413p1-8.txt Full location name: Gerhard Minnebron Mooi River Ecosystem Trails for Scientific Investigations Short location name: Potchefstroom-METSI Country of location: South Africa Location latitude [deg]: -26.4907 Location longitude [deg]: 27.1322 Location altitude [m]: 1440 Local noon date: 20230705 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0881 305.2288 305.3695 305.5101 305.6508 305.7914 305.9321 306.0727 306.2133 306.3539 306.4945 306.6351 306.7757 306.9162 307.0568 307.1973 307.3378 307.4784 307.6189 307.7593 307.8998 308.0403 308.1807 308.3212 308.4616 308.6020 308.7424 308.8828 309.0232 309.1636 309.3040 309.4443 309.5847 309.7250 309.8653 310.0056 310.1459 310.2862 310.4264 310.5667 310.7069 310.8472 310.9874 311.1276 311.2678 311.4080 311.5482 311.6883 311.8285 311.9686 312.1088 312.2489 312.3890 312.5291 312.6692 312.8092 312.9493 313.0893 313.2294 313.3694 313.5094 313.6494 313.7894 313.9294 314.0694 314.2093 314.3493 314.4892 314.6291 314.7690 314.9089 315.0488 315.1887 315.3285 315.4684 315.6082 315.7480 315.8878 316.0276 316.1674 316.3072 316.4470 316.5867 316.7265 316.8662 317.0059 317.1456 317.2853 317.4250 317.5647 317.7044 317.8440 317.9836 318.1233 318.2629 318.4025 318.5421 318.6816 318.8212 318.9608 319.1003 319.2398 319.3794 319.5189 319.6584 319.7978 319.9373 320.0768 320.2162 320.3556 320.4951 320.6345 320.7739 320.9133 321.0526 321.1920 321.3314 321.4707 321.6100 321.7493 321.8887 322.0279 322.1672 322.3065 322.4458 322.5850 322.7242 322.8635 323.0027 323.1419 323.2810 323.4202 323.5594 323.6985 323.8377 323.9768 324.1159 324.2550 324.3941 324.5332 324.6722 324.8113 324.9503 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Azimuth motor temperature [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230705T055043.2Z 8586.243555 295 1 50.35 2 80.89 58.77 77.76 250.47 0.00 1 0.00 1 0 25 4.137e-01 8.638e-03 2.541e-01 3.467e-03 7.131691e-01 1.940579e-03 7.042312e-03 -6.000000e+00 2.505804e-01 225.47 -2.00 3.06 -2.00 320.99 0.00e+00 1.646331e-03 8.987004e-04 2.366960e-03 -6.000000e+00 1.189921e-02 279.23 -2.00 20.00 -2.00 320.47 0.00e+00 6.001 0.001 302.00 328.00 3 3.1557e+00 6.3216e-03 6.1622e-02 -6.0000e+00 6.1951e-01 1.0340e-02 8.7571e-03 3.8108e-02 -6.0000e+00 6.7252e-01 -4.0297e-02 9.2203e-03 1.7726e-02 -6.0000e+00 3.9914e-01 5.1756e-03 4.4203e-03 6.4410e-03 -6.0000e+00 1.6807e-01 6.9647e-05 -4.3317e-04 1.0258e-04 7.2355e-05 -6.0000e+00 1.3316e-02 -3.8542e-02 -1.5725e-04 12 9 1 12 4 4 86.84 15.42 0.38 -0.03854 -0.04180 51 9 1 5 0 987.000 18.94 15.00 15.42 6.91 33.60 13.9 789.11 66833 -171990 -228435 900000 -164565 162115 900000 -114940 -32174 -30854 900000 -148641 900000 30284 -6653 -12311 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-103 1024 210 -164 -708 -270 -1837 235 -195 342 -473 506 -392 1456 1730 989 1939 -26 743 -59 -553 546 -262 -259 140 284 -874 -1560 -1174 -1361 -696 -892 -914 -560 777 327 374 1108 1056 388 384 -299 -1191 -970 -1100 -225 785 1081 1297 2316 1359 448 679 555 -105 242 -1809 -732 102 -468 -678 -492 319 157 442 SS 20230705T060302.7Z 8586.252114 300 1 50.58 2 78.55 57.13 80.26 249.38 0.00 1 0.00 1 0 25 1.803e-01 6.293e-03 4.772e-02 1.589e-03 5.942270e-01 8.510840e-04 5.961141e-03 -6.000000e+00 1.083808e-01 225.48 -2.00 3.06 -2.00 320.11 0.00e+00 1.352498e-03 2.986492e-04 8.142440e-04 -6.000000e+00 4.784778e-03 279.23 -2.00 20.00 -2.00 319.54 0.00e+00 4.876 0.001 302.00 328.00 3 2.8091e+00 2.5035e-03 4.9199e-02 -6.0000e+00 2.6785e-01 5.3222e-03 3.0851e-03 2.7791e-02 -6.0000e+00 2.9053e-01 -2.1137e-02 2.8193e-03 1.3619e-02 -6.0000e+00 1.7314e-01 -3.7459e-03 1.4378e-03 4.6667e-03 -6.0000e+00 7.2805e-02 2.7070e-04 -2.2678e-04 4.7721e-05 5.3538e-05 -6.0000e+00 5.6862e-03 -3.9229e-02 -1.3992e-04 12 1 1 12 4 4 83.10 15.48 0.31 -0.03923 -0.04093 110 20 1 5 0 459.750 19.04 14.99 15.48 8.45 34.30 14.0 799.23 -69353 -91635 -65904 -43441 -71394 -57499 -3909 -88005 -49281 -48066 -21328 -32843 806 -7672 -32791 -4587 -10480 -8529 1453 -10044 -2581 -3961 7057 -15781 -1626 -8613 -15231 1222 1005 5121 -3207 5254 -3674 587 -1984 -7121 -619 -3143 656 -3210 -2866 -2702 -920 1076 -1877 1664 -1623 449 -831 2502 513 1198 1183 1913 333 242 1643 791 1186 1635 1109 2026 1036 1372 691 1232 827 1474 974 943 -471 -566 -420 -73 182 0 225 -1353 268 629 -527 -921 -1424 -872 -1479 -782 -344 -446 -29 15 643 1037 1396 1167 1215 933 289 105 -543 182 -356 -138 98 24 -707 -1008 -1050 -935 -153 -153 -289 -600 -196 72 491 983 702 545 46 -520 -276 -296 -458 -279 608 392 910 1161 767 670 193 162 11 266 -293 -409 -52 -420 -388 -127 -77 11 218 -656 -1264 -756 -397 -830 -579 -25 -1473 -634 -670 -248 -489 10 -137 -845 -117 -292 -258 43 -355 -88 -141 236 -718 -70 -421 -811 55 45 236 -184 325 -283 46 -162 -620 -55 -339 76 -458 -462 -472 -167 197 -361 315 -324 91 -177 551 126 326 327 569 107 82 562 274 403 549 386 759 438 593 317 561 373 678 490 534 -278 -351 -260 -43 107 0 112 -682 145 391 -359 -714 -1145 -748 -1361 -716 -330 -441 -28 14 613 922 1184 1006 1141 940 317 130 -697 236 -442 -166 109 26 -822 -1247 -1301 -1235 -218 -227 -449 -988 -324 115 745 1493 1060 852 72 -857 -457 -479 -718 -421 917 570 1283 1667 1206 1118 338 289 20 529 -595 -843 -110 -908 -840 -268 -160 21 434 SS 20230705T061001.1Z 8586.256957 303 1 50.74 2 77.25 56.17 81.67 248.75 0.00 1 0.00 1 0 25 1.046e-01 5.961e-03 2.241e-02 1.125e-03 5.436169e-01 5.990114e-04 5.532885e-03 -6.000000e+00 6.290395e-02 225.48 -2.00 3.06 -2.00 319.67 0.00e+00 1.063513e-03 1.817474e-04 7.744201e-04 -6.000000e+00 2.777221e-03 279.23 -2.00 20.00 -2.00 319.08 0.00e+00 4.412 0.000 302.00 328.00 3 2.6117e+00 1.7031e-03 4.4616e-02 -6.0000e+00 1.5546e-01 1.4908e-03 2.0330e-03 2.5249e-02 -6.0000e+00 1.6862e-01 -1.7525e-02 1.7163e-03 1.2278e-02 -6.0000e+00 1.0049e-01 -3.4366e-03 8.9103e-04 4.0148e-03 -6.0000e+00 4.2255e-02 5.0499e-04 -2.3687e-04 3.4255e-05 4.7509e-05 -6.0000e+00 3.3004e-03 -3.9446e-02 -1.5849e-04 12 1 1 12 4 4 87.47 15.53 0.25 -0.03945 -0.04123 165 30 1 5 0 307.470 19.04 15.00 15.53 9.11 35.10 13.9 804.20 -23991 -61430 -27187 -30323 -31837 -40199 -28028 -39615 -40927 -18981 -26834 -18607 -10227 -4046 -14119 -5983 -456 -9453 4512 -7731 1807 -907 1725 -4460 -3765 170 -10218 305 -330 3352 -1781 2052 -945 -3554 -1375 -4031 284 -1439 1591 -2430 -2487 -1138 -1484 619 -1184 1233 -1060 384 -393 179 1933 -357 1559 890 996 446 766 517 309 1369 844 1845 1251 740 491 875 663 1018 919 670 271 -565 -184 219 -66 248 156 -165 147 -30 -466 -1023 -1433 -1078 -1057 -1025 -446 -500 -167 94 611 913 990 1335 1184 1102 258 47 -388 38 -144 -445 405 174 -721 -824 -838 -831 -337 -151 -343 -541 -201 -17 441 860 706 497 -16 -542 -499 -374 -490 -194 636 657 1000 1277 664 597 307 245 -1 185 -182 -146 53 -346 -517 -243 -79 -122 130 -271 -1060 -391 -446 -454 -618 -409 -735 -867 -352 -580 -417 -254 -106 -500 -229 -19 -463 207 -423 93 -49 95 -283 -257 12 -798 21 -23 236 -149 191 -94 -385 -146 -444 33 -198 257 -482 -515 -252 -346 145 -287 297 -265 97 -103 50 572 -119 559 322 381 179 315 214 126 550 352 824 624 380 264 464 345 538 526 431 181 -399 -129 147 -44 150 88 -92 89 -19 -351 -822 -1269 -961 -1005 -1037 -472 -517 -172 100 604 841 919 1243 1126 1123 302 58 -502 50 -189 -538 477 204 -850 -1032 -1056 -1114 -463 -227 -537 -894 -333 -27 662 1284 1046 762 -25 -883 -822 -603 -764 -292 951 943 1455 1799 1019 970 522 425 -2 340 -356 -291 109 -725 -1086 -497 -154 -234 242 SS 20230705T061631.1Z 8586.261471 306 1 50.61 2 76.05 55.25 82.98 248.15 0.00 1 0.00 1 0 25 7.691e-02 6.037e-03 1.210e-02 8.894e-04 5.036630e-01 4.692713e-04 5.175943e-03 -6.000000e+00 4.624464e-02 225.48 -2.00 3.06 -2.00 319.27 0.00e+00 9.434484e-04 1.249678e-04 5.818872e-04 -6.000000e+00 2.041589e-03 279.23 -2.00 20.00 -2.00 318.66 0.00e+00 4.057 0.000 302.00 328.00 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