File name: Pandora69s1_NewBrunswickNJ_20230713_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20230714T170653.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20230713_L1_smca1c23d20210421p1-8.txt Full location name: Rutgers NJDEP (USEPA AQS ID 34-023-0011) Short location name: NewBrunswickNJ Country of location: USA Location latitude [deg]: 40.4622 Location longitude [deg]: -74.4294 Location altitude [m]: 19 Local noon date: 20230713 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: based on s13, field cal for NewBrunswick, revisited HCHO First and last pixel inside fitting window: 259 400 Nominal wavelengths inside fitting window [nm]: 305.1248 305.2657 305.4066 305.5475 305.6883 305.8292 305.9700 306.1109 306.2517 306.3925 306.5333 306.6741 306.8148 306.9556 307.0963 307.2371 307.3778 307.5185 307.6592 307.7999 307.9406 308.0812 308.2219 308.3625 308.5032 308.6438 308.7844 308.9250 309.0656 309.2062 309.3467 309.4873 309.6278 309.7683 309.9089 310.0494 310.1898 310.3303 310.4708 310.6113 310.7517 310.8921 311.0326 311.1730 311.3134 311.4537 311.5941 311.7345 311.8748 312.0152 312.1555 312.2958 312.4361 312.5764 312.7167 312.8570 312.9972 313.1375 313.2777 313.4179 313.5581 313.6983 313.8385 313.9787 314.1189 314.2590 314.3991 314.5393 314.6794 314.8195 314.9596 315.0997 315.2397 315.3798 315.5198 315.6599 315.7999 315.9399 316.0799 316.2199 316.3598 316.4998 316.6397 316.7797 316.9196 317.0595 317.1994 317.3393 317.4792 317.6190 317.7589 317.8987 318.0386 318.1784 318.3182 318.4580 318.5978 318.7375 318.8773 319.0170 319.1568 319.2965 319.4362 319.5759 319.7156 319.8552 319.9949 320.1345 320.2742 320.4138 320.5534 320.6930 320.8326 320.9722 321.1117 321.2513 321.3908 321.5303 321.6698 321.8093 321.9488 322.0883 322.2278 322.3672 322.5067 322.6461 322.7855 322.9249 323.0643 323.2037 323.3430 323.4824 323.6217 323.7611 323.9004 324.0397 324.1790 324.3183 324.4575 324.5968 324.7360 324.8753 --------------------------------------------------------------------------------------- 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 20230713T104806.4Z 8594.450073 178 1 50.10 2 78.82 70.76 38.69 104.66 0.00 1 0.00 1 0 17 4.053e-01 1.148e-02 2.877e-01 7.199e-03 6.293780e-01 3.975037e-03 6.909190e-03 -6.000000e+00 2.407467e-01 232.87 -2.00 3.50 -2.00 321.29 0.00e+00 4.852346e-03 1.495163e-03 6.221972e-04 -6.000000e+00 9.447431e-03 289.56 -2.00 20.00 -2.00 320.95 0.00e+00 4.976 0.002 302.00 328.00 3 2.3404e+00 1.2082e-02 6.0503e-02 -6.0000e+00 6.1004e-01 1.6381e-01 1.6106e-02 3.4604e-02 -6.0000e+00 6.6075e-01 -2.2842e-01 1.8069e-02 1.8790e-02 -6.0000e+00 3.8680e-01 8.9425e-02 9.0626e-03 6.1282e-03 -6.0000e+00 1.6104e-01 1.7850e-04 -1.0752e-04 2.2549e-04 7.9332e-05 -6.0000e+00 1.1475e-02 1.6184e-02 7.0617e-05 12 8 8 10 0 0 1.75 22.91 0.56 0.01618 0.01538 34 7 1 5 0 1472.960 26.00 19.98 22.91 31.47 27.7 1064.52 -200388 179532 -122964 -66460 -96923 -24357 -98676 78949 -135465 -119583 140201 -117122 34994 -71025 104746 42964 6491 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125 -657 -621 -672 -1929 -1500 -820 -934 -431 -212 -394 238 1275 1180 -613 994 -1206 253 -1092 -77 26 995 1027 -604 221 -638 356 -599 -1235 -2082 -1771 -1312 -1366 -45 -25 1023 -826 302 -1615 501 -77 805 -338 -540 -991 567 1261 60 1809 921 2085 1123 1686 -321 -446 2336 -409 199 344 -11 -506 1204 -1041 -1605 986 -1255 -765 SS 20230713T105354.0Z 8594.454097 181 1 50.13 2 77.78 71.63 37.64 105.92 0.00 1 0.00 1 0 17 3.020e-01 7.888e-03 1.945e-01 4.588e-03 5.874501e-01 2.513988e-03 6.445610e-03 -6.000000e+00 1.794404e-01 232.87 -2.00 3.50 -2.00 321.08 0.00e+00 1.917486e-03 9.073699e-04 5.286542e-04 -6.000000e+00 7.040249e-03 289.56 -2.00 20.00 -2.00 320.75 0.00e+00 4.584 0.002 302.00 328.00 3 2.1001e+00 7.5440e-03 5.5824e-02 -6.0000e+00 4.5470e-01 6.1540e-02 9.8627e-03 3.2029e-02 -6.0000e+00 4.9247e-01 -1.0967e-01 1.0956e-02 1.7354e-02 -6.0000e+00 2.8829e-01 3.8584e-02 5.5599e-03 5.6358e-03 -6.0000e+00 1.2004e-01 3.5521e-04 2.5644e-04 1.4499e-04 6.7992e-05 -6.0000e+00 8.5514e-03 1.6136e-02 1.1079e-04 11 9 0 11 8 0 25.91 22.91 0.30 0.01614 0.01806 56 11 1 5 0 895.040 26.00 20.01 22.91 31.80 27.7 1066.46 53141 -83880 -108193 -79055 -162884 127458 -107158 1612 -93244 -65300 -80882 -84622 12291 -53545 53698 -22061 19148 -28979 22975 -27151 3962 -5217 -31878 20689 -20612 1399 -26671 -7717 -39763 4325 -14110 268 13547 -12241 13141 -5755 24 -2750 746 -7858 -2556 3336 -2248 -316 -4792 6109 -5358 7552 -2374 3750 2692 5124 3388 280 3966 -1924 6067 -468 2710 1290 5530 -308 1930 3885 1894 3605 -223 5928 -714 3507 -1177 687 192 -705 1605 -329 201 -1649 1585 -2074 -1201 -2129 -337 -1014 -1414 639 -571 1350 73 1422 231 524 419 -418 942 -463 1038 -426 279 -715 -501 -648 -462 -163 -1404 -618 -1376 -582 -451 -93 -400 -272 113 -173 369 443 833 301 -298 -669 455 369 424 471 378 393 1096 1135 -16 342 76 -9 -52 -63 -127 -300 499 -343 143 -242 -105 -392 238 -817 -1352 -700 -3012 570 -1376 8 -1311 -746 -1144 -1473 108 -1068 474 -449 293 -754 393 -768 85 -125 -1054 452 -700 40 -991 -232 -1648 135 -609 12 573 -660 542 -302 1 -192 61 -798 -268 350 -258 -36 -583 683 -682 878 -318 516 416 847 619 57 807 -429 1271 -103 568 278 1227 -80 553 1175 580 1059 -69 1826 -265 1406 -527 307 83 -289 585 -112 66 -588 630 -992 -652 -1290 -215 -691 -1039 486 -456 1075 58 1052 161 348 276 -296 743 -424 1067 -489 327 -815 -531 -632 -437 -162 -1503 -690 -1645 -740 -627 -141 -648 -446 181 -265 536 635 1227 468 -491 -1122 742 586 654 698 543 546 1520 1701 -27 620 148 -18 -110 -141 -302 -734 1238 -866 351 -573 -238 -860 SS 20230713T105916.6Z 8594.457831 184 1 50.07 2 76.81 72.43 36.67 107.12 0.00 1 0.00 1 0 25 2.176e-01 6.069e-03 9.223e-02 3.084e-03 5.506024e-01 1.658831e-03 6.090182e-03 -6.000000e+00 1.292542e-01 232.87 -2.00 3.50 -2.00 320.86 0.00e+00 2.666625e-03 5.741863e-04 4.423020e-04 -6.000000e+00 5.073384e-03 289.56 -2.00 20.00 -2.00 320.54 0.00e+00 4.270 0.001 302.00 328.00 3 1.8449e+00 4.8985e-03 5.2012e-02 -6.0000e+00 3.2752e-01 3.3011e-02 6.2545e-03 2.9735e-02 -6.0000e+00 3.5477e-01 -6.7607e-02 6.7580e-03 1.5806e-02 -6.0000e+00 2.0768e-01 2.1181e-02 3.4645e-03 5.0237e-03 -6.0000e+00 8.6448e-02 6.4281e-04 -4.2956e-05 9.6339e-05 5.7868e-05 -6.0000e+00 6.1626e-03 1.6846e-02 3.8790e-05 10 0 0 10 0 0 90.89 22.91 0.36 0.01685 0.01652 85 17 1 5 0 588.970 26.00 19.99 22.91 32.05 27.7 1068.19 -63038 -49175 -64914 -108570 -113905 -52153 -62812 -15416 -53073 -40516 -68297 -65429 -54314 -50175 6761 -21015 -11258 -20943 -6724 -15676 -3531 7205 -18875 -16287 -9076 -1023 -6600 -2072 -15345 -1182 -11834 -2030 -329 -670 -2314 -8285 -5238 -1094 -1187 -1303 611 -1692 827 2460 -2171 2367 876 -915 -331 4391 -527 2569 2238 2104 1090 2828 253 -46 994 1142 2190 1536 3589 2465 2063 3045 430 912 -63 1552 1420 1331 404 535 103 -920 -570 -1127 -1203 -2256 -1165 -2147 -1477 -1003 -971 -91 -34 719 744 779 978 882 42 721 -210 -54 385 0 -302 -80 -324 -139 701 -846 -1545 -734 -457 -475 -88 -221 -204 159 -79 -299 247 281 511 228 -217 -647 93 185 168 283 274 207 1272 883 57 340 -38 56 -14 201 -71 -194 397 -189 -255 -164 -122 -284 -607 -458 -657 -1573 -1650 -470 -699 -121 -670 -475 -1027 -1145 -1069 -1180 109 -511 -274 -613 -182 -484 -97 183 -671 -605 -332 -36 -244 -70 -608 -46 -602 -108 -19 -39 -132 -534 -378 -91 -110 -140 70 -210 104 309 -292 310 118 -130 -49 669 -94 485 460 464 253 667 62 -11 234 273 556 438 1124 836 694 981 143 319 -25 689 675 643 190 235 41 -338 -202 -425 -522 -1154 -674 -1393 -1016 -733 -762 -75 -29 620 630 620 720 614 29 527 -175 -52 420 0 -376 -95 -358 -140 680 -883 -1734 -860 -569 -636 -129 -328 -323 255 -123 -477 370 414 775 366 -343 -1046 159 306 269 432 403 294 1785 1348 98 584 -70 109 -29 434 -164 -463 961 -467 -614 -376 -266 -596 SS 20230713T110458.4Z 8594.461786 187 1 49.90 2 75.78 73.27 35.65 108.44 0.00 1 0.00 1 0 17 1.535e-01 5.396e-03 5.264e-02 2.019e-03 5.182604e-01 1.088979e-03 5.821384e-03 -6.000000e+00 9.117048e-02 232.87 -2.00 3.50 -2.00 320.56 0.00e+00 1.250759e-03 3.459158e-04 3.775252e-04 -6.000000e+00 3.577628e-03 289.56 -2.00 20.00 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