File name: Pandora64s1_NewHavenCT_20240812_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240813T050756.3Z 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_20240812_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: 20240812 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 20240812T104126.6Z 8990.445447 57 1 47.81 2 83.12 76.40 159.12 11.03 0.00 1 0.00 1 0 25 5.455e-01 3.546e-02 1.941e-01 9.085e-03 9.257984e-01 5.427878e-03 1.299131e-02 -6.000000e+00 3.348408e-01 231.93 -2.00 3.52 -2.00 322.04 0.00e+00 4.207619e-02 2.977228e-03 4.859808e-03 -6.000000e+00 1.499598e-02 289.98 -2.00 20.00 -2.00 321.53 0.00e+00 7.620 0.008 302.00 328.00 3 7.5444e-01 2.0969e-02 9.2071e-02 -6.0000e+00 8.3797e-01 1.6368e+00 2.4512e-02 6.7135e-02 -6.0000e+00 9.0212e-01 -2.0348e+00 1.4692e-02 2.6397e-02 -6.0000e+00 5.3790e-01 8.1751e-01 7.8625e-03 3.1938e-02 -6.0000e+00 2.2840e-01 3.6048e-05 -3.7462e-03 2.4158e-04 6.6988e-04 -6.0000e+00 1.6253e-02 -1.1515e-03 -1.4974e-05 12 8 8 10 0 0 93.03 21.45 0.18 -0.00115 -0.02930 43 10 1 5 0 1111.830 25.90 20.00 21.45 24.36 40.1 1018.79 99516 107139 182318 88651 -111477 60262 16499 -38011 54929 -26097 -29282 -9268 17432 17410 129059 74294 99042 88749 66251 155837 152534 233917 900000 127404 61708 49134 -14154 37340 33340 -51486 29742 60051 50175 150994 47662 41820 56739 93230 68681 64534 61799 74452 47658 30608 42459 79464 60903 56386 48064 34346 46782 135543 108972 54626 40249 25692 23632 17412 34909 24050 24988 25915 27331 53436 53554 25352 26694 33209 19676 21578 17983 20281 3320 2656 -67 -3897 13829 -1355 -178 6119 4556 -3548 -66 -916 -1878 -3690 -128 -4065 3734 -219 -3558 -4184 -9752 -11492 -7939 -4861 -5356 -1923 1415 -489 -124 -2318 -5431 -3894 -3596 -8321 -3666 -355 -3830 -1523 -778 -2856 -534 -1310 -895 -2124 539 358 2132 3383 3098 3980 3169 3368 3759 2298 -918 2444 1872 1309 1238 231 781 -715 133 -237 -738 195 769 -481 -1230 -2869 3318 3517 2927 3043 -18655 1701 566 -1723 882 -823 -908 -287 589 819 2572 3043 3454 3635 3337 3221 2882 2072 900000 1881 1494 1218 -588 992 1024 -4050 1449 2560 2639 3031 2216 1945 2293 2918 2920 2822 2839 3297 2717 2135 2726 3941 3574 3683 3592 3137 4117 5602 6113 5080 4189 2958 2642 1947 3150 2463 2739 3213 3858 6596 6907 4042 4311 5208 3885 4632 4150 4533 822 598 -14 -755 2381 -281 -44 1737 1533 -1391 -27 -393 -860 -1792 -62 -2070 1738 -101 -1593 -1820 -4535 -6028 -4777 -3420 -4260 -1719 1317 -456 -107 -1818 -4246 -3046 -2833 -7211 -3300 -342 -4381 -1966 -1067 -4254 -789 -1925 -1275 -3044 784 550 3379 5331 4707 5687 4414 4758 5148 3141 -1299 3553 3214 2586 2605 531 1914 -1817 357 -659 -2080 550 2101 -1245 -3127 -6920 SS 20240812T105158.4Z 8990.452760 60 1 49.05 2 81.19 78.08 158.68 17.47 0.00 1 0.00 1 0 25 4.449e-01 3.424e-02 2.373e-01 1.369e-02 8.217992e-01 8.149091e-03 1.010299e-02 -6.000000e+00 2.739379e-01 231.93 -2.00 3.52 -2.00 321.67 0.00e+00 7.898017e-03 4.036448e-03 6.308814e-03 -6.000000e+00 1.245265e-02 289.98 -2.00 20.00 -2.00 321.07 0.00e+00 6.164 0.004 302.00 328.00 3 2.9579e+00 2.9254e-02 8.1070e-02 -6.0000e+00 6.8469e-01 9.3456e-01 3.7107e-02 5.6829e-02 -6.0000e+00 7.3765e-01 -1.1967e+00 2.6822e-02 2.7585e-02 -6.0000e+00 4.3902e-01 4.8025e-01 1.2875e-02 7.2962e-03 -6.0000e+00 1.8567e-01 2.1608e-05 -3.8929e-03 3.9117e-04 1.7235e-04 -6.0000e+00 1.3251e-02 3.0037e-03 -2.7674e-04 12 8 8 10 0 0 99.90 21.47 0.02 0.00300 -0.02625 35 8 1 5 0 1401.120 25.90 19.98 21.47 24.59 39.9 1019.51 -60626 -48833 -40106 23946 900000 -65136 -130472 -60375 -97740 -12401 -90844 5926 -44872 -72555 -25292 86698 -21302 65778 -23596 69449 -10275 319262 59791 12281 -22622 8391 -57814 -18600 8188 -94486 -34429 37044 13784 4928 -308 31074 26036 19486 37418 -5571 30555 28941 61447 -25862 26810 24174 72183 1440 36036 -34584 96712 119156 78669 29946 39539 39887 24896 15335 55973 10067 11792 19957 34403 32742 39634 4785 18995 24763 30631 8478 16824 8984 12789 2947 9217 -3571 48761 -5668 -5494 1122 -1664 -6617 -598 -5320 2505 -4914 3162 -2342 3074 2749 -9108 -1164 -9774 -8716 -2669 1051 -4567 -894 382 -2909 -4685 -2044 -6818 -290 -6787 -4535 -3021 3949 -2270 1121 1390 -519 -359 2967 764 -997 -557 190 282 2326 -414 2591 1106 4397 3890 2585 -2772 3854 1618 247 -134 -783 -908 22 724 58 -501 626 1397 -1022 -1508 -2069 -2225 -1670 -1238 362 900000 -1847 -7073 -1772 -3994 -232 -3561 111 -1647 -4357 -1139 1542 -1119 1638 -1358 1668 -488 4260 1436 481 -1170 336 -4050 -838 306 -9864 -2527 1615 793 308 -19 1493 1346 1235 2309 -560 2421 2414 3792 -3573 2325 2177 4366 163 3216 -6352 6022 6466 6430 3996 4904 5009 3615 2359 5835 1549 1870 3242 5455 5860 6782 1142 4055 5248 6876 2514 4839 2817 3669 859 2395 -958 7655 -1642 -1759 400 -705 -3350 -307 -3029 1408 -2951 1814 -1431 1848 1573 -5502 -627 -5775 -5576 -1768 785 -4176 -897 400 -3071 -4682 -1787 -5856 -242 -6439 -4398 -3115 4143 -2853 1468 2009 -802 -557 4338 1102 -1442 -828 293 455 3717 -658 3816 1604 5938 5403 3555 -3809 5478 2705 470 -282 -1693 -2095 54 1876 156 -1369 1707 3691 -2601 -3616 -4696 SS 20240812T110246.7Z 8990.460263 65 1 48.49 2 79.20 79.80 158.03 23.78 0.00 1 0.00 1 0 25 4.704e-01 1.311e-02 8.640e-02 2.400e-03 6.926199e-01 1.376184e-03 8.360562e-03 -6.000000e+00 2.887129e-01 231.93 -2.00 3.52 -2.00 321.06 0.00e+00 5.202667e-03 6.597560e-04 4.073106e-03 -6.000000e+00 1.292989e-02 289.98 -2.00 20.00 -2.00 320.42 0.00e+00 5.133 0.002 302.00 328.00 3 1.6714e+00 4.6970e-03 6.5755e-02 -6.0000e+00 7.2252e-01 1.1233e-01 6.2606e-03 4.3219e-02 -6.0000e+00 7.7791e-01 -1.5099e-01 5.8046e-03 2.2180e-02 -6.0000e+00 4.6384e-01 5.6065e-02 2.7856e-03 6.4820e-03 -6.0000e+00 1.9680e-01 2.8023e-04 -7.8642e-04 7.0478e-05 1.2543e-04 -6.0000e+00 1.4010e-02 -8.1316e-04 -5.1176e-05 12 8 8 10 0 0 97.96 21.46 0.22 -0.00081 -0.00672 133 32 1 5 0 364.540 25.90 20.01 21.46 24.88 40.0 1021.16 -171206 -132325 -157032 -154136 -286961 -143159 -128736 -169020 -116146 -77870 -94843 -78524 -54151 -88411 -19210 -43538 -33187 -24484 -15015 -21692 -15395 -17455 17120 -12616 10655 -19002 -17191 -17159 -19391 -42898 -4814 -7557 6573 -3615 1842 -9609 4941 762 5258 287 5543 2723 3295 -2809 3596 8036 9701 5386 5179 378 6278 8206 9442 5405 3918 3985 2115 1162 4389 4456 3410 4997 6324 6662 5319 1499 1554 2130 3279 3275 1538 2636 291 858 153 -802 57 -3045 -1749 -521 -1493 -487 -2194 -2214 -1048 -788 376 -69 974 501 -329 -452 -2169 -735 -94 -461 -913 739 428 -881 -975 -1700 -2624 -17 -291 -1773 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