File name: Pandora206s1_BuffaloNY_20241002_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T195837.4Z 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_20241002_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20241002 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 20241002T122607.7Z 9041.518145 71 1 24.01 2 77.96 107.08 76.19 108.23 0.00 1 0.00 1 0 25 5.169e-01 8.232e-02 3.488e-01 4.815e-02 5.350178e-01 2.787488e-02 7.233467e-03 -6.000000e+00 3.112495e-01 226.96 -2.00 3.55 -2.00 320.72 0.00e+00 1.907791e-03 1.092325e-02 6.956322e-03 -6.000000e+00 2.088702e-02 283.18 -2.00 20.00 -2.00 320.10 0.00e+00 4.648 0.002 302.00 328.00 3 5.7441e+00 8.7780e-02 6.5717e-02 -6.0000e+00 7.9294e-01 4.1045e-01 1.1103e-01 6.0209e-02 -6.0000e+00 8.7522e-01 -5.2478e-01 1.0083e-01 1.7420e-02 -6.0000e+00 5.0270e-01 2.4429e-01 5.0347e-02 8.7621e-03 -6.0000e+00 2.2090e-01 8.8983e-06 -3.4214e-05 1.5389e-03 4.9506e-05 -6.0000e+00 1.5399e-02 -1.3673e-02 0.0000e+00 12 8 8 10 0 0 98.93 18.28 2.98 -0.01367 -0.01393 6 6 2 8 0 4000.000 15.00 18.28 20.39 21.27 20.96 23.8 943.93 -95423 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 109159 900000 46125 900000 900000 900000 -33751 70361 900000 3599 900000 99055 900000 108653 900000 211141 900000 3983 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-5385 1865 3847 2915 8053 -2428 7641 3108 8850 1103 12697 1155 13171 -13293 6458 -8089 4569 7868 -10314 -3807 2423 11238 804 8688 -7059 5174 -1394 7517 7666 7452 -581 -2649 7076 -11468 3131 -8935 11718 2370 8873 -24297 14541 -206 5334 1927 1042 -9457 -2695 -722 -22238 -2588 -2666 10173 -3630 6204 436 3546 -2956 4554 -4726 6772 5384 -638 4678 735 11951 -7164 9453 -1921 10557 -10816 8283 -1567 -3158 9878 -6867 800 8367 -14583 -921 SS 20241002T125456.0Z 9041.538148 83 1 44.80 2 73.01 112.46 71.46 113.66 0.00 1 0.00 1 0 17 1.627e-01 6.591e-03 1.285e-01 4.072e-03 4.603563e-01 2.054022e-03 5.430398e-03 -6.000000e+00 9.120289e-02 226.96 -2.00 3.55 -2.00 319.75 0.00e+00 1.472145e-03 6.203811e-04 4.193552e-04 -6.000000e+00 4.038180e-03 283.18 -2.00 20.00 -2.00 319.08 0.00e+00 3.370 0.001 302.00 328.00 3 4.2175e+00 5.8996e-03 4.0932e-02 -6.0000e+00 2.2629e-01 1.9422e-02 7.1012e-03 2.4589e-02 -6.0000e+00 2.4578e-01 -7.1755e-06 6.0623e-03 1.2143e-02 -6.0000e+00 1.4653e-01 -7.1750e-03 3.1768e-03 4.0212e-03 -6.0000e+00 6.2820e-02 1.6538e-04 -5.7152e-04 1.1247e-04 3.7570e-05 -6.0000e+00 4.1445e-03 -1.1359e-02 0.0000e+00 11 8 0 10 0 0 99.74 18.28 0.57 -0.01136 -0.01565 19 6 1 8 0 2357.660 15.00 18.28 21.05 21.38 20.96 24.0 948.84 -57942 69086 4262 55320 4936 103362 -28908 48194 -10776 71625 -224 37515 -20302 -3235 1576 21023 32521 -16044 18170 -8926 20822 -8149 12390 464 10421 -13449 -6287 2583 -6559 10734 1555 3769 793 17082 -6068 1639 -7351 1257 2882 132 -3073 -1762 -684 -647 894 -2245 -2310 -5974 2116 -2025 2823 1662 38 -1114 656 1642 482 260 182 -1823 -623 1730 901 2426 -105 -168 273 -190 956 1029 969 646 98 862 1767 -112 1132 -2013 355 -3007 -846 -37 -2138 -2098 -1030 -329 206 832 119 518 489 578 665 661 129 -173 313 492 327 158 134 -427 -668 380 293 -1220 -390 -270 -642 -412 525 -39 -260 111 -95 527 0 731 -107 -181 -673 -74 136 279 89 -26 8 748 558 25 472 101 -31 -514 58 90 -418 276 153 -275 47 -261 105 -1171 483 59 481 61 469 -501 456 -200 677 -4 532 -583 -96 54 710 1080 -935 810 -551 992 -516 653 30 655 -1136 -513 186 -488 676 121 329 81 1631 -699 166 -885 161 442 25 -692 -399 -161 -157 224 -589 -611 -1643 545 -559 802 506 13 -406 249 636 195 106 73 -727 -250 732 429 1267 -59 -90 138 -96 505 600 634 447 69 575 1084 -65 592 -1046 191 -1938 -591 -29 -1802 -1854 -961 -329 216 862 126 550 481 524 585 567 120 -175 344 614 431 210 173 -508 -753 422 343 -1534 -509 -360 -915 -616 851 -64 -425 178 -142 760 0 1084 -164 -296 -1123 -119 213 437 132 -37 12 1051 832 39 808 177 -55 -971 113 186 -884 592 323 -581 93 -517 199 SS 20241002T130540.0Z 9041.545602 90 1 46.05 2 71.21 114.55 69.75 115.77 0.00 1 0.00 1 0 17 5.274e-02 4.917e-03 1.045e-02 7.847e-04 4.199698e-01 3.915868e-04 4.975114e-03 -6.000000e+00 2.955186e-02 226.96 -2.00 3.55 -2.00 319.61 0.00e+00 8.210227e-04 1.119030e-04 1.809173e-04 -6.000000e+00 1.308499e-03 283.18 -2.00 20.00 -2.00 318.92 0.00e+00 3.067 0.000 302.00 328.00 3 1.2178e+00 1.1140e-03 3.7181e-02 -6.0000e+00 7.3323e-02 -9.3183e-03 1.3229e-03 2.2052e-02 -6.0000e+00 7.9640e-02 2.6143e-04 1.0518e-03 1.0991e-02 -6.0000e+00 4.7482e-02 -7.4685e-03 5.5208e-04 3.2727e-03 -6.0000e+00 2.0353e-02 4.7439e-03 -5.1906e-04 2.1929e-05 3.2511e-05 -6.0000e+00 1.3431e-03 -1.0611e-02 0.0000e+00 10 0 0 10 0 0 99.96 18.27 0.32 -0.01061 -0.01451 741 229 2 8 0 61.890 15.00 18.27 21.64 21.38 20.96 24.1 952.26 -23558 -16044 -16193 -12213 -21654 -19935 -15113 -20555 -12246 -14706 -11628 -15193 -8472 -9183 -4605 -3635 -2181 -1529 -1994 -303 -625 -792 -1381 -1127 -2229 -1627 -2068 -2493 -2914 -2249 -924 -415 1164 -643 -2273 -2558 -2805 -1494 -669 -635 -544 -929 41 -1005 315 -89 -98 -142 -250 183 707 1188 997 1402 912 1095 991 786 595 549 903 1327 1629 2253 999 198 315 -570 501 380 523 494 311 475 247 -322 -371 -1255 -526 -783 -971 -715 -1906 -1525 -1202 -631 -194 -54 545 467 600 603 280 496 524 145 269 744 353 -154 -177 -681 -590 -227 -726 -1048 -838 -698 -385 211 327 276 226 217 -4 192 157 120 -8 -55 -437 -179 144 74 461 318 342 1060 632 318 362 -42 -144 -86 -76 -71 -235 174 -74 -145 -70 -190 -204 -496 -365 -398 -285 -494 -421 -324 -524 -328 -446 -348 -486 -297 -393 -226 -207 -134 -100 -140 -22 -47 -60 -107 -94 -202 -155 -205 -239 -262 -200 -90 -46 142 -87 -299 -320 -382 -233 -126 -145 -128 -232 11 -270 84 -24 -27 -38 -68 51 209 386 349 526 363 448 419 335 248 225 375 592 803 1223 574 109 163 -294 268 234 361 360 228 335 162 -191 -199 -651 -285 -490 -700 -580 -1714 -1429 -1101 -620 -200 -58 585 487 579 585 253 434 490 141 295 919 478 -210 -227 -806 -636 -244 -858 -1318 -1100 -969 -567 309 521 459 370 337 -6 280 228 181 -12 -87 -708 -282 220 119 698 463 473 1457 953 528 597 -74 -258 -160 -151 -149 -472 355 -153 -291 -144 -375 -390 SS 20241002T133526.7Z 9041.566282 112 1 1.29 2 66.39 120.62 65.16 121.90 0.00 1 0.00 1 0 17 2.534e-02 6.283e-03 2.438e-02 4.243e-03 3.429412e-01 2.103368e-03 4.143169e-03 -6.000000e+00 1.420509e-02 226.96 -2.00 3.55 -2.00 318.30 0.00e+00 6.742669e-04 4.024271e-04 1.481836e-04 -6.000000e+00 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