File name: Pandora64s1_NewHavenCT_20231105_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231106T044013.5Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231105_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: 20231105 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 20231105T123650.3Z 8709.525582 299 1 23.75 2 79.19 122.29 27.90 229.56 0.00 1 0.00 1 0 33 3.507e-01 3.535e-02 1.601e-01 7.627e-03 6.365636e-01 4.198985e-03 8.586522e-03 -6.000000e+00 2.084966e-01 224.04 -2.00 3.52 -2.00 320.97 0.00e+00 2.911389e-02 1.793513e-03 3.751595e-03 -6.000000e+00 9.304739e-03 281.45 -2.00 20.00 -2.00 320.42 0.00e+00 5.135 0.002 302.00 328.00 3 3.0316e+00 1.3482e-02 6.0921e-02 -6.0000e+00 5.1359e-01 5.3938e-01 1.6243e-02 3.5372e-02 -6.0000e+00 5.5738e-01 -7.7743e-01 1.2864e-02 2.5917e-02 -6.0000e+00 3.3271e-01 3.4501e-01 6.4055e-03 2.3238e-02 -6.0000e+00 1.4195e-01 6.8209e-05 -4.5585e-03 2.2352e-04 3.6227e-04 -6.0000e+00 1.0424e-02 6.3599e-03 -3.9414e-04 12 9 9 12 1 1 99.94 21.05 0.07 0.00636 -0.02789 14 7 1 5 0 1583.240 25.68 20.00 21.05 17.50 37.9 983.86 13924 44731 52571 62104 -196481 57626 -23895 -48973 7360 12842 -73914 -30106 -28536 33648 47544 34699 50906 108879 65033 76730 57487 105104 103118 42318 34315 20101 21840 -5616 32601 -12347 33082 59626 66881 53620 67971 65452 55772 27509 38923 24338 37149 22011 34678 7840 39609 30968 46561 27407 47155 21365 45460 35042 33193 18999 22011 2858 11901 -1241 3545 6904 8350 10570 18501 14916 18037 11678 12772 7204 9160 5005 3854 -113 -2121 -2477 -2133 -3859 3852 -2563 -4580 755 -565 -8812 -4446 -5419 -1593 -4912 -2989 -2743 665 1274 -4828 -4060 -6864 -5323 -3568 -2258 -2645 -60 1735 1363 389 -770 -4543 -1567 -2678 -2904 -3268 661 -879 -334 275 55 -246 509 -960 -964 332 12 1408 2171 2014 2593 2749 3086 2732 1984 80 2570 1776 1482 293 374 -307 -515 329 -469 -505 -253 354 -1424 -663 -2423 292 811 904 866 -26376 643 -544 -1264 109 173 -2263 -784 -949 860 1348 1245 1715 2378 2134 2389 1936 2149 2013 1396 1148 757 802 -260 1197 -799 1693 2713 3189 2908 3127 3103 2928 2118 2997 2242 3364 2310 3424 1056 4075 3646 4886 3657 5377 3354 6141 5646 5746 3948 4401 648 2552 -279 792 1546 2004 2664 4880 4513 5379 3606 3934 2411 3334 2113 1727 -53 -970 -1057 -822 -1385 1259 -951 -2029 375 -310 -5875 -3022 -3913 -1182 -3773 -2346 -2180 532 964 -3625 -2874 -4915 -4029 -2902 -2113 -2864 -69 2045 1570 421 -798 -4611 -1605 -2964 -3215 -3909 823 -1232 -496 442 91 -402 795 -1452 -1433 503 19 2341 3648 3313 4084 4203 4508 4059 2889 117 3838 3022 2680 582 751 -652 -1163 751 -1113 -1213 -614 837 -3253 -1481 -5227 SS 20231105T124150.6Z 8709.529058 302 1 48.42 2 78.40 123.22 28.63 231.44 0.00 1 0.00 1 0 25 3.224e-01 2.206e-02 9.999e-02 3.566e-03 6.163971e-01 1.956735e-03 7.508448e-03 -6.000000e+00 1.919391e-01 224.04 -2.00 3.52 -2.00 320.85 0.00e+00 1.460088e-02 8.442722e-04 2.110912e-03 -6.000000e+00 8.549510e-03 281.45 -2.00 20.00 -2.00 320.29 0.00e+00 4.813 0.002 302.00 328.00 3 2.8068e+00 6.2724e-03 5.7704e-02 -6.0000e+00 4.7283e-01 1.8933e-01 7.9204e-03 3.2636e-02 -6.0000e+00 5.1293e-01 -3.0731e-01 7.1312e-03 2.2467e-02 -6.0000e+00 3.0619e-01 1.3417e-01 3.5067e-03 1.4860e-02 -6.0000e+00 1.3080e-01 1.3171e-04 -2.4935e-03 1.0608e-04 1.9612e-04 -6.0000e+00 9.5781e-03 2.0865e-03 -2.2138e-04 12 9 8 11 8 0 99.88 21.05 0.11 0.00209 -0.01665 63 15 1 5 0 768.400 25.68 20.00 21.05 17.90 37.7 985.73 -98685 -3661 -79600 -68833 -256722 -70190 -96771 -38290 -52674 7377 -102174 -39701 -63643 -20402 3771 31332 15051 39574 28136 39941 7503 44015 35941 15389 5727 9533 9097 -406 20486 -29732 20920 14869 29943 36097 22438 16923 26251 7494 14315 8938 19755 7683 13221 1999 12209 17049 25338 12966 16874 2765 16479 16711 12875 7008 9215 4397 5274 431 5389 2020 4225 4528 7419 8926 11852 4240 3909 3408 3209 2399 1767 1426 -687 -777 -1410 -2631 1212 -3929 -2343 678 -1590 -3818 -2767 -3733 -1656 -1709 -975 -180 241 216 -966 -690 -3694 -2496 -1495 -323 -1329 927 1012 291 -855 -1356 -3251 -197 -900 -2407 -1175 -95 -1070 675 605 140 -117 48 -428 -370 503 334 422 1432 324 688 1555 1346 1949 1615 -948 1100 1225 1003 820 -20 -482 -567 202 -137 -907 154 552 -575 -215 -1515 -1768 -28 -1384 -994 -19279 -920 -1682 -389 -648 56 -2241 -573 -1549 -420 77 570 358 815 685 897 231 918 827 440 182 298 287 -14 614 -1587 821 716 1413 1623 1098 912 1434 573 1202 839 1928 841 1453 253 1452 2007 2842 1728 2268 461 2666 2944 2533 1558 2046 1043 1246 105 1233 490 1080 1217 2184 2853 3729 1403 1319 1202 1273 1076 844 695 -329 -349 -580 -1004 437 -1575 -1073 354 -915 -2524 -1934 -2790 -1301 -1414 -835 -155 205 175 -737 -500 -2717 -1946 -1315 -306 -1454 1056 1204 338 -987 -1428 -3321 -205 -1004 -2849 -1398 -120 -1515 989 960 228 -189 74 -664 -563 782 517 689 2358 527 1076 2471 2053 2866 2313 -1380 1707 2027 1833 1548 -41 -1021 -1217 459 -321 -2176 370 1299 -1301 -461 -3287 SS 20231105T130016.4Z 8709.541856 311 1 5.77 2 75.57 126.72 31.44 237.74 0.00 1 0.00 1 0 25 1.932e-01 1.107e-02 9.532e-02 5.035e-03 5.189686e-01 2.694894e-03 6.130435e-03 -6.000000e+00 1.151040e-01 224.04 -2.00 3.52 -2.00 319.88 0.00e+00 3.390715e-03 8.721013e-04 7.794641e-04 -6.000000e+00 5.122068e-03 281.44 -2.00 20.00 -2.00 319.27 0.00e+00 3.928 0.001 302.00 328.00 3 2.6281e+00 7.8004e-03 4.7380e-02 -6.0000e+00 2.8357e-01 -8.8122e-03 9.4014e-03 2.6887e-02 -6.0000e+00 3.0750e-01 -3.5137e-02 7.9398e-03 1.4291e-02 -6.0000e+00 1.8357e-01 1.1842e-02 4.0927e-03 5.4316e-03 -6.0000e+00 7.8500e-02 4.3072e-04 -7.2461e-04 1.5265e-04 6.4555e-05 -6.0000e+00 5.7388e-03 -5.3938e-05 -3.6256e-05 12 9 9 12 1 1 63.85 21.04 0.08 -0.00005 -0.00550 9 20 1 5 0 576.760 25.68 20.00 21.04 18.85 37.5 989.88 -75650 -43024 -38665 -58538 -154640 -54791 11242 -63902 12423 -42478 4252 -49744 -21245 -27310 -8205 -10690 -953 6500 1418 -1603 -7300 -9498 10190 2086 -4580 -2617 -5494 -10491 536 -10264 -5124 -45 2597 6743 -1582 1708 -5630 -1052 -1181 515 3348 -873 -88 1245 -1110 926 558 3139 -362 -1766 4710 1644 2262 5276 2215 1885 2270 167 -321 2812 1808 906 1420 4994 1952 321 817 377 924 1457 1178 -68 536 -770 -1606 -1708 -234 -3461 -1973 -1444 -685 -2247 -1920 -2610 -872 -570 928 271 1409 513 602 160 -874 -796 1282 -109 -157 1589 160 -775 159 -2183 -1956 -42 273 -1954 42 -617 -392 889 1087 15 310 85 -253 -433 1025 -508 223 96 296 36 830 103 1298 448 -1285 398 1042 356 788 -661 -638 -495 365 -93 -544 298 605 -245 174 -1005 -1543 -699 -628 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