File name: Pandora55s1_QueensNY_20240310_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T132745.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240310_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240310 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240310T124915.7Z 8835.534209 82 1 50.40 2 73.27 110.48 77.01 109.13 0.00 1 0.00 1 0 25 1.360e-01 6.123e-03 3.014e-02 1.094e-03 5.846471e-01 5.735333e-04 6.782057e-03 -6.000000e+00 8.011362e-02 226.00 -2.00 3.51 -2.00 319.80 0.00e+00 1.492378e-03 1.791438e-04 8.339703e-04 -6.000000e+00 3.483305e-03 276.85 -2.00 20.00 -2.00 319.25 0.00e+00 3.420 0.001 302.00 328.00 3 1.8530e+00 1.6346e-03 4.5836e-02 -6.0000e+00 1.9844e-01 6.9485e-02 1.9718e-03 3.0924e-02 -6.0000e+00 2.1549e-01 -2.1100e-02 1.7500e-03 1.5289e-02 -6.0000e+00 1.2822e-01 -1.8210e-03 9.0903e-04 4.8970e-03 -6.0000e+00 5.3785e-02 1.3027e-03 -6.9943e-04 3.1647e-05 5.5465e-05 -6.0000e+00 4.0535e-03 2.1163e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.66 0.16 0.00212 -0.00314 233 44 1 5 0 216.270 26.00 19.99 22.66 12.78 35.7 1051.68 -65131 -55900 50856 -66789 -27810 -25375 -41519 7684 -22419 -39095 -41825 -33644 -30316 -22346 10258 -9902 -15637 -9891 10560 5297 2096 -381 -560 -9107 -5436 -7660 8409 -7186 -8768 -11014 -670 3248 -140 -4565 -769 4605 -4693 -3698 1930 395 -2381 -784 -3840 -1102 -1676 1890 -1996 449 444 2275 1135 1002 408 2383 2568 748 1735 80 1269 264 1593 1907 1990 -658 152 -80 985 386 1295 1346 -51 103 -452 -845 -135 87 577 1427 1014 -31 54 40 -1351 -1151 -1314 -1180 -1153 -914 -643 -579 35 443 706 1711 1214 1140 568 783 -273 -320 -396 -348 381 799 -97 -851 -268 -705 -112 61 -118 -421 -204 -118 -32 522 840 867 261 -234 -797 -387 -222 -176 27 -65 389 1277 713 109 374 45 260 96 227 -348 -134 225 -425 -360 -132 -76 -10 158 -821 -768 285 -1120 -314 -272 -536 71 -308 -682 -800 -652 -668 -564 236 -325 -613 -404 389 217 92 -18 -27 -496 -310 -476 467 -457 -560 -731 -44 240 -12 -456 -76 429 -491 -432 255 63 -441 -157 -836 -242 -376 417 -463 104 106 556 298 288 129 795 912 281 671 32 497 102 610 759 860 -319 78 -42 507 198 681 772 -32 70 -313 -581 -88 53 325 764 555 -19 37 30 -1117 -1011 -1206 -1133 -1156 -946 -674 -604 35 425 643 1508 1100 1110 608 919 -348 -427 -528 -445 454 909 -112 -1021 -333 -911 -151 86 -178 -672 -334 -194 -51 803 1254 1293 400 -372 -1303 -631 -355 -275 41 -97 563 1801 1027 166 613 77 465 177 432 -688 -272 464 -887 -751 -270 -152 -19 298 SS 20240310T125440.4Z 8835.537967 86 1 50.33 2 72.31 111.47 76.06 110.04 0.00 1 0.00 1 0 25 4.204e-01 2.087e-02 8.361e-02 3.648e-03 5.414149e-01 1.922515e-03 6.309242e-03 -6.000000e+00 2.502640e-01 226.00 -2.00 3.51 -2.00 319.67 0.00e+00 3.409591e-03 5.676709e-04 2.826875e-04 -6.000000e+00 1.108886e-02 276.85 -2.00 20.00 -2.00 319.11 0.00e+00 3.246 0.001 302.00 328.00 3 4.2913e+00 5.4276e-03 4.2867e-02 -6.0000e+00 6.1999e-01 1.6875e-01 6.4534e-03 2.8265e-02 -6.0000e+00 6.7400e-01 -1.2476e-01 5.2772e-03 1.4309e-02 -6.0000e+00 3.9879e-01 5.1763e-02 2.7313e-03 5.4364e-03 -6.0000e+00 1.6680e-01 1.3578e-04 -1.4694e-03 1.0869e-04 5.9343e-05 -6.0000e+00 1.2750e-02 9.3982e-03 0.0000e+00 12 9 8 11 32 0 99.95 22.66 0.12 0.00940 -0.00164 18 3 1 5 0 2795.220 26.00 20.00 22.66 12.95 35.7 1052.57 -97095 -117338 900000 -122626 19072 900000 -59999 900000 -24301 -33063 -92406 -30440 -84315 -51988 205927 6131 -51840 105039 204136 63967 96134 1723 19343 -42277 2571 -20292 222280 -17827 -23276 39837 -4005 459 -8156 6518 -3695 72916 -7571 -5152 7888 19723 -6196 13228 -6290 -222 2259 19387 -4000 15415 11477 11191 4285 386 -1600 13424 11771 3457 11103 3815 6278 2073 248 8314 620 -11487 4502 -4012 3329 -116 2786 1561 416 1229 2645 -2744 4034 -2200 -194 2971 -2103 -1685 -3722 3231 -1363 -1018 -3674 -1497 -3729 -1063 -2579 -488 -193 -715 99 -308 177 -422 -240 -213 -286 -291 76 -725 -657 1682 -638 -478 -521 -792 111 1942 934 -1122 6 -106 -585 -711 603 1373 270 -390 -1340 508 1190 2022 285 284 1736 1021 379 -603 939 988 1225 549 469 -603 86 185 -135 -1039 -774 -742 -25 -837 -3086 -5255 900000 -6224 253 900000 -1575 900000 -556 -880 -4418 -885 -4653 -2602 1203 257 -4169 2179 1857 2178 2514 108 1043 -4219 181 -1848 2261 -1606 -2158 2096 -343 43 -947 716 -454 4318 -966 -720 1152 3039 -1370 2664 -1589 -55 555 4134 -1065 3487 2748 2784 1199 121 -556 4376 4112 1350 4175 1538 2462 827 101 3285 284 -6387 2334 -2274 1728 -61 1471 906 268 835 1822 -1942 2574 -1380 -110 1562 -1173 -1020 -2584 2361 -1130 -893 -3446 -1447 -3829 -1110 -2767 -511 -196 -693 90 -273 159 -409 -256 -250 -363 -388 101 -921 -780 1879 -730 -569 -647 -1022 148 2711 1401 -1802 11 -173 -928 -1087 884 2003 406 -612 -2174 814 1867 3083 429 414 2442 1407 535 -908 1500 1663 2136 987 872 -1170 172 375 -277 -2140 -1559 -1451 -47 -1549 SS 20240310T131806.3Z 8835.554239 98 1 50.78 2 68.24 115.93 71.99 114.14 0.00 1 0.00 1 0 25 2.969e-02 5.999e-03 2.392e-03 2.926e-04 4.640189e-01 1.512572e-04 5.489997e-03 -6.000000e+00 1.749319e-02 226.00 -2.00 3.51 -2.00 318.50 0.00e+00 4.800083e-04 3.105939e-05 2.410529e-04 -6.000000e+00 7.606488e-04 276.85 -2.00 20.00 -2.00 317.90 0.00e+00 2.674 0.000 302.00 328.00 3 2.6633e-01 4.0785e-04 3.5808e-02 -6.0000e+00 4.3331e-02 5.3846e-02 4.6460e-04 2.3725e-02 -6.0000e+00 4.7053e-02 -2.5122e-02 3.2492e-04 1.1797e-02 -6.0000e+00 2.7998e-02 3.2109e-03 1.7065e-04 3.4173e-03 -6.0000e+00 1.1743e-02 1.5196e-02 -5.2803e-04 8.7108e-06 4.1085e-05 -6.0000e+00 8.8518e-04 2.6406e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.66 0.22 0.00264 -0.00133 1182 223 1 5 0 42.700 26.00 20.00 22.66 13.84 35.8 1058.39 -13357 -10053 -8939 -11606 -11040 -9496 -10264 -8312 -6368 -8612 -8012 -6177 -4748 -3319 -573 -1334 -1174 -2066 30 56 -894 490 318 -205 -468 -907 -1469 -2104 -1105 125 335 986 1340 -1099 -661 -342 -198 162 553 -480 -1139 -851 -1143 -934 -646 -168 -617 -295 -400 793 983 912 1065 1046 893 689 953 331 624 813 1464 1502 1570 686 -328 258 385 581 1310 914 141 -287 -686 -536 -703 -129 310 676 1138 137 34 -695 -1498 -1405 -1226 -1200 -854 -577 -441 -525 -17 403 522 1368 1362 1178 858 769 -341 -473 -365 -519 13 706 -138 -900 -426 -762 -100 -94 -112 -353 -232 -67 26 682 903 823 542 -166 -611 -498 -173 -293 126 82 443 1414 937 298 434 -52 262 134 174 -334 -161 192 -413 -416 -181 -179 -144 88 -432 -366 -347 -460 -409 -329 -370 -328 -280 -422 -410 -331 -286 -237 -44 -121 -118 -227 3 7 -114 62 41 -28 -70 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