File name: Pandora64s1_NewHavenCT_20231023_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240123T150806.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231023_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231023 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20231023T120316.1Z 8696.502269 65 1 48.53 2 81.77 113.15 159.11 354.41 0.00 1 0.00 1 0 25 3.641e-01 2.831e-02 1.526e-01 5.261e-03 7.622959e-01 2.995892e-03 1.046409e-02 -6.000000e+00 2.178068e-01 225.19 -2.00 3.52 -2.00 321.57 0.00e+00 3.063074e-02 1.529666e-03 4.831739e-03 -6.000000e+00 9.719560e-03 283.05 -2.00 20.00 -2.00 321.06 0.00e+00 6.555 0.005 302.00 328.00 3 1.2755e+00 1.0534e-02 7.6855e-02 -6.0000e+00 5.3766e-01 7.9725e-01 1.3173e-02 4.3477e-02 -6.0000e+00 5.8255e-01 -1.0381e+00 1.0888e-02 2.9699e-02 -6.0000e+00 3.4779e-01 4.3628e-01 5.2629e-03 2.6463e-02 -6.0000e+00 1.4850e-01 8.6239e-05 -3.2052e-03 1.4827e-04 4.5859e-04 -6.0000e+00 1.0819e-02 1.5559e-03 -1.3056e-04 12 9 8 11 8 0 99.80 21.11 0.22 0.00156 -0.02253 90 22 1 5 0 539.200 25.68 20.04 21.11 13.57 37.1 963.37 23237 -37699 48912 -27515 -208696 -81700 -16405 -135798 130331 -84777 -67322 -84142 27574 -41587 89804 2654 66119 35466 70315 42927 36713 31062 57215 -640 19501 -16234 -9354 -30853 -527 -37757 30727 23570 75273 54840 25792 11184 26046 17808 40813 25888 51584 35785 26207 13177 27608 42974 47971 34432 32019 22703 41086 38084 33253 31294 28612 17470 11303 16994 16039 18966 8888 18017 17451 23704 21855 18746 13629 17064 10086 12277 5173 9770 2553 4407 -3202 -2308 170 -2695 -2324 3501 -1705 1962 -3531 -3656 -4031 -3159 -2353 -1956 -695 725 -4258 -3234 -6534 -6743 -5067 -2645 -3042 -600 411 -540 -97 -2691 -4165 -1929 -1652 -4050 -1907 -1499 -1923 -1058 687 -495 99 -391 12 -1334 531 563 1319 1752 1831 1220 2810 2449 3080 2567 -53 1313 1813 844 1310 157 -53 -414 461 -532 -752 -26 152 -520 -534 -2111 271 -897 552 -539 -19538 -2057 -210 -4813 669 -1621 -1099 -2040 339 -1280 1060 82 1323 959 1515 1101 942 768 1115 -19 470 -492 -288 -1094 -17 -1937 1017 989 2355 1918 1107 553 1178 963 1960 1582 2574 2203 1894 1131 2150 3026 3378 2955 2972 2488 4139 4280 4156 4174 3896 2623 1766 2417 2259 2671 1379 2911 3253 4661 4522 3943 3088 3881 2738 3637 1725 3124 833 1300 -919 -601 43 -759 -776 1323 -785 985 -1852 -2020 -2381 -1939 -1490 -1250 -435 426 -2461 -1777 -3708 -4188 -3611 -2174 -2928 -644 431 -601 -100 -2545 -3733 -1746 -1590 -4182 -2085 -1657 -2403 -1484 1045 -793 158 -608 18 -1990 806 897 2194 2935 2971 1906 4196 3531 4291 3516 -74 2009 3175 1563 2654 344 -122 -1029 1132 -1360 -1945 -67 386 -1251 -1289 -4886 SS 20231023T121925.6Z 8696.513490 70 1 48.34 2 79.02 116.03 159.09 4.50 0.00 1 0.00 1 0 25 3.038e-01 8.004e-03 2.675e-02 9.004e-04 6.187384e-01 4.949040e-04 7.176018e-03 -6.000000e+00 1.818139e-01 225.19 -2.00 3.52 -2.00 320.53 0.00e+00 2.068630e-03 1.996176e-04 1.041019e-03 -6.000000e+00 8.109653e-03 283.05 -2.00 20.00 -2.00 319.94 0.00e+00 5.059 0.002 302.00 328.00 3 1.4868e-01 1.5286e-03 5.9891e-02 -6.0000e+00 4.4882e-01 4.2258e-02 1.9664e-03 3.2885e-02 -6.0000e+00 4.8621e-01 -3.3324e-02 1.8596e-03 1.7313e-02 -6.0000e+00 2.9027e-01 4.9828e-03 9.2211e-04 5.6994e-03 -6.0000e+00 1.2401e-01 1.5505e-03 -7.7620e-04 2.6671e-05 7.4325e-05 -6.0000e+00 9.0291e-03 -5.6498e-04 -8.1505e-05 11 8 0 10 0 0 -14.64 21.13 0.14 -0.00056 -0.00640 502 121 1 5 0 96.270 25.68 19.99 21.13 14.47 37.4 968.37 -112915 -98016 -95073 -104181 -163092 -97127 -91388 -84488 -91407 -68853 -78408 -55128 -56010 -35919 -32716 -20880 -23134 -10346 -20454 -4121 -15609 -6828 -9282 -3200 -14954 -7912 -14825 -7204 -15805 -7768 -3228 -1060 -1371 2491 -7245 -3305 -4680 396 959 2607 132 1735 1683 1070 1485 2316 1295 1880 1148 2124 3743 -3848 3205 2819 1402 1689 1353 214 471 208 1420 1877 2862 3338 2029 -719 886 -1054 1499 2080 985 569 115 -1 -182 -1909 -932 -2465 -447 -763 -997 -871 -1846 -2168 -362 -423 365 376 1281 631 196 205 -762 -227 715 66 -121 1018 527 -443 -375 -1713 -2067 223 308 -1396 -450 -740 -319 402 888 341 152 165 -332 -271 383 -122 685 485 -240 -317 742 272 901 488 -1388 308 841 260 262 -581 -780 -366 371 -111 -428 513 370 -157 197 -609 -1140 -955 -952 -1079 -2921 -947 -939 -927 -1212 -792 -1074 -726 -949 -628 -684 -453 -571 -250 -584 -106 -459 -188 -285 -101 -517 -268 -542 -239 -590 -303 -144 -53 -79 141 -439 -206 -340 33 97 301 16 218 222 144 205 325 188 285 185 369 721 -882 747 715 377 472 387 61 132 59 426 578 979 1247 775 -276 343 -438 688 1069 506 300 64 0 -86 -843 -399 -1129 -231 -431 -646 -635 -1456 -1703 -301 -370 330 344 1145 538 157 168 -624 -185 657 70 -137 1272 646 -563 -444 -1870 -2170 242 355 -1708 -584 -976 -462 604 1433 565 249 258 -496 -397 574 -192 1127 813 -395 -504 1138 425 1357 715 -2057 462 1406 455 496 -1109 -1572 -781 798 -248 -973 1171 829 -336 422 -1254 SS 20231023T122457.8Z 8696.517335 73 1 48.36 2 78.09 117.04 158.96 7.92 0.00 1 0.00 1 0 25 2.131e-01 7.373e-03 1.856e-02 7.127e-04 5.811979e-01 3.880409e-04 6.773038e-03 -6.000000e+00 1.275266e-01 225.19 -2.00 3.52 -2.00 320.24 0.00e+00 1.704227e-03 1.430149e-04 9.465662e-04 -6.000000e+00 5.687889e-03 283.05 -2.00 20.00 -2.00 319.63 0.00e+00 4.695 0.002 302.00 328.00 3 1.1708e-01 1.1599e-03 5.5720e-02 -6.0000e+00 3.1481e-01 3.5787e-02 1.4463e-03 3.0694e-02 -6.0000e+00 3.4102e-01 -1.3801e-02 1.3175e-03 1.5887e-02 -6.0000e+00 2.0359e-01 -5.4343e-03 6.6693e-04 5.0090e-03 -6.0000e+00 8.6993e-02 2.3389e-03 -7.0226e-04 2.1191e-05 6.3088e-05 -6.0000e+00 6.3326e-03 -1.0589e-03 -7.0918e-05 11 8 0 10 0 0 0.50 21.11 0.16 -0.00106 -0.00634 626 151 1 5 0 77.250 25.68 19.99 21.11 14.75 37.3 969.86 -79571 -66803 -67281 -79185 -114394 -77554 -64281 -61115 -49311 -48708 -57899 -39286 -33500 -20397 -18295 -6500 -12591 -6909 -11324 -5281 -10053 -7343 -5993 -5736 -7096 -5121 -8042 -7468 -9138 -8334 -1890 -2434 1416 -1914 -5447 -4746 -2092 -1033 854 790 533 271 1291 99 1206 1795 1403 1623 1445 718 2347 -2382 1487 1643 591 917 1384 553 357 289 937 1868 2107 3485 1409 -774 261 -811 1045 1748 626 727 -298 42 -566 -1336 -1029 -2150 -850 -562 -1080 -501 -1692 -1864 -379 -363 297 512 1068 862 408 480 -589 -38 570 227 -178 1087 582 -432 -446 -1827 -1934 121 373 -1504 -459 -815 -164 376 925 350 189 68 -179 -108 500 -154 616 384 -246 -363 677 107 919 547 -1265 304 797 147 198 -631 -638 -440 479 -150 -463 490 386 -252 298 -548 -863 -710 -757 -946 -1860 -916 -742 -781 -631 -670 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