File name: Pandora206s1_BuffaloNY_20241227_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241228T052209.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20241227_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: United States Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20241227 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°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 20241227T150749.0Z 9127.630428 190 1 26.54 2 72.60 149.16 68.19 190.36 0.00 1 0.00 1 0 17 7.283e-02 6.435e-03 7.787e-02 5.152e-03 4.236639e-01 2.550694e-03 5.023851e-03 -6.000000e+00 4.031156e-02 222.80 -2.00 3.55 -2.00 319.55 0.00e+00 2.791337e-04 6.923688e-04 2.344745e-04 -6.000000e+00 1.762103e-03 273.55 -2.00 20.00 -2.00 319.01 0.00e+00 3.297 0.001 302.00 328.00 3 4.1634e+00 7.1204e-03 3.8652e-02 -6.0000e+00 9.9295e-02 4.7240e-02 8.3849e-03 2.1808e-02 -6.0000e+00 1.0846e-01 -7.0607e-03 6.9840e-03 1.1069e-02 -6.0000e+00 6.4345e-02 -6.9073e-03 3.7158e-03 3.3043e-03 -6.0000e+00 2.7456e-02 1.9860e-04 -5.1455e-04 1.4569e-04 3.4919e-05 -6.0000e+00 1.8528e-03 3.7593e-03 0.0000e+00 11 8 0 10 0 0 98.92 17.61 0.39 0.00376 -0.00011 19 19 4 8 0 1396.530 15.00 17.61 10.29 21.27 21.06 23.5 953.98 -47574 38730 5349 39353 -3697 900000 -12394 5493 -20642 6444 14386 2645 6030 -7195 -7703 -2899 8661 1115 5007 -1306 12750 -4699 -7865 -6042 5561 -1528 1914 5522 -10334 293 -1199 3655 -2271 -1180 -1965 -4322 -7805 364 2853 -1054 -1024 -2542 2503 -2287 523 -2574 -384 -2880 2270 -897 904 1300 2053 2299 1037 1414 46 -587 -972 -226 424 2679 126 2871 -656 71 -453 -1428 319 93 1003 -144 1247 219 628 -454 988 -1764 -798 -1754 -25 -226 -2364 -735 -1145 310 -138 -10 398 1757 428 766 -80 798 191 23 948 1126 147 -423 -341 -407 -894 23 -597 -1224 -1020 -482 -257 -216 72 276 -142 106 -58 143 -282 497 -234 196 -217 -360 1340 94 -51 236 83 830 542 8 412 -251 -149 -133 -103 -270 420 -25 95 128 133 -346 -534 -1277 538 107 567 -70 900000 -263 114 -616 161 347 72 189 -310 -399 -167 483 72 330 -96 843 -366 -651 -536 470 -147 183 485 -993 26 -118 387 -288 -160 -253 -546 -1121 56 506 -235 -257 -684 670 -654 145 -746 -109 -834 630 -263 282 444 746 898 432 602 20 -263 -426 -97 184 1229 64 1563 -383 39 -243 -766 174 59 694 -103 902 153 405 -272 532 -941 -448 -1117 -18 -183 -2066 -661 -1107 309 -145 -11 433 1820 428 701 -71 687 173 24 1058 1381 198 -565 -426 -478 -994 25 -713 -1552 -1314 -654 -371 -330 116 459 -232 169 -86 203 -400 729 -359 318 -357 -578 2062 145 -75 331 114 1140 799 13 696 -436 -266 -247 -200 -552 870 -53 199 264 261 -671 -1003 SS 20241227T153119.3Z 9127.646751 200 1 3.32 2 70.57 154.43 69.20 195.87 0.00 1 0.00 1 0 17 6.953e-02 9.499e-03 1.039e-01 1.119e-02 3.814962e-01 5.468523e-03 4.600876e-03 -6.000000e+00 3.827528e-02 222.80 -2.00 3.55 -2.00 318.82 0.00e+00 2.194809e-03 1.197326e-03 1.967982e-04 -6.000000e+00 1.655687e-03 273.54 -2.00 20.00 -2.00 318.27 0.00e+00 2.973 0.000 302.00 328.00 3 3.7228e+00 1.4810e-02 3.4863e-02 -6.0000e+00 9.4381e-02 2.3700e-02 1.7007e-02 1.9820e-02 -6.0000e+00 1.0306e-01 -1.0573e-02 1.2588e-02 9.9227e-03 -6.0000e+00 6.1293e-02 -3.4195e-04 6.7595e-03 3.5711e-03 -6.0000e+00 2.6219e-02 4.4465e-04 -3.7313e-04 3.0869e-04 3.3020e-05 -6.0000e+00 1.7686e-03 2.4942e-03 0.0000e+00 12 9 9 12 1 1 999.00 17.62 0.40 0.00249 -0.00031 1 16 4 8 0 1656.590 15.01 17.62 10.83 21.27 21.06 23.5 957.45 16732 -10192 10889 -13355 34793 -14227 -24348 -17539 -5591 21296 221 37825 -15255 16620 5195 8072 -2211 6755 -6591 4531 906 2756 1417 -1154 9958 -12709 8413 -11003 7096 -10703 5409 -3344 -3512 -5063 -2737 -6646 -5128 1778 65 29 -4002 908 -281 1840 -643 929 -3253 3032 -445 2597 -128 3661 1560 -1299 -121 262 2656 -413 904 -708 283 2201 -1104 42 2450 -878 -854 -181 1866 2992 1235 1353 1051 301 -954 939 -2655 -723 -1403 -1313 -2768 -628 -2132 -648 -438 -899 235 -948 714 1006 279 -87 1465 1250 780 222 -757 1166 886 485 -747 -838 -983 461 -1250 -492 -1559 581 -714 -118 -641 890 -377 190 -200 -3 392 -53 173 -451 960 -315 -147 158 -47 193 1597 1269 355 574 640 19 -775 384 -468 138 -454 603 -828 -408 400 -54 -301 445 -394 375 -552 807 -510 -1022 -766 -244 770 10 1239 -968 924 386 677 -215 639 -756 487 104 306 163 -146 1226 -1997 1131 -1663 864 -1566 749 -548 -645 -1016 -503 -1213 -1009 378 17 9 -1416 322 -102 672 -241 348 -1266 1133 -173 993 -52 1581 735 -655 -63 139 1413 -227 476 -374 152 1256 -701 28 1656 -589 -540 -112 1196 2123 965 1106 863 239 -730 648 -1770 -454 -937 -983 -2279 -554 -2070 -631 -456 -987 262 -1108 827 1124 297 -87 1376 1175 771 241 -895 1493 1204 654 -979 -1030 -1136 533 -1574 -634 -2078 802 -1037 -180 -1021 1442 -605 291 -296 -4 552 -76 261 -712 1516 -493 -228 241 -68 273 2163 1735 525 882 1028 31 -1324 660 -851 258 -873 1174 -1619 -782 742 -98 -531 SS 20241227T153736.7Z 9127.651120 204 1 27.08 2 70.09 155.88 69.53 197.33 0.00 1 0.00 1 0 25 3.396e-02 5.840e-03 3.062e-02 3.404e-03 3.747850e-01 1.664889e-03 4.501805e-03 -6.000000e+00 1.869236e-02 222.80 -2.00 3.55 -2.00 319.04 0.00e+00 1.043799e-03 3.858118e-04 1.738616e-04 -6.000000e+00 8.086621e-04 273.54 -2.00 20.00 -2.00 318.49 0.00e+00 2.905 0.000 302.00 328.00 3 3.9416e+00 4.5502e-03 3.4095e-02 -6.0000e+00 4.6092e-02 2.8006e-02 5.2535e-03 1.9283e-02 -6.0000e+00 5.0334e-02 -8.9731e-03 3.9452e-03 9.7086e-03 -6.0000e+00 2.9935e-02 -3.8002e-03 2.1058e-03 3.0273e-03 -6.0000e+00 1.2803e-02 3.8508e-04 -4.0620e-04 9.5618e-05 3.0558e-05 -6.0000e+00 8.6388e-04 3.7732e-03 0.0000e+00 10 0 0 10 0 0 99.88 17.63 0.46 0.00377 0.00072 27 27 2 8 0 1002.800 15.00 17.63 11.05 21.27 21.06 23.8 960.05 -20357 8198 -11949 -4423 -13833 1570 -11987 -5247 -6804 -5132 -7960 -5845 -8782 -3236 58 1547 2603 6968 -799 21 3218 -10005 2005 -2526 -2646 -1088 369 -1608 -3380 510 -3898 -312 1135 696 6 -2280 -3698 -2556 -560 973 -493 -860 -96 -570 -265 -39 -171 -1362 626 354 1101 883 497 1122 1380 1075 1241 195 -310 -371 182 2032 1280 2036 236 -187 -759 -323 272 358 877 786 684 1489 364 3 -43 -1855 -1089 -1256 -1945 -236 -2295 -1256 -786 -326 -994 -95 439 727 821 625 227 571 17 84 345 641 684 -315 -125 -532 -713 -109 -517 -866 -531 -548 -394 113 439 -30 -194 5 -13 337 115 252 16 171 -365 -96 224 91 220 307 98 1058 840 161 880 -59 -268 -168 -395 -248 -64 412 94 -14 56 -629 -309 -731 252 -478 -159 -480 44 -412 -189 -282 -228 -364 -270 -488 -203 4 127 227 616 -81 2 337 -1181 215 -305 -339 -145 49 -209 -417 60 -534 -46 184 122 1 -367 -662 -524 -136 268 -154 -284 -33 -199 -92 -14 -60 -478 216 124 411 361 218 524 672 537 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