File name: Pandora64s1_NewHavenCT_20231118_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231119T044231.9Z 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_20231118_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: 20231118 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 20231118T155902.8Z 8722.666005 189 1 48.39 2 61.20 169.83 101.25 113.73 0.00 1 0.00 1 0 17 1.159e-02 7.595e-03 8.408e-04 3.260e-04 2.680756e-01 1.714384e-04 3.280724e-03 -6.000000e+00 6.889629e-03 223.12 -2.00 3.52 -2.00 316.76 0.00e+00 3.716826e-04 2.192397e-05 8.385718e-05 -6.000000e+00 3.055320e-04 279.87 -2.00 20.00 -2.00 316.12 0.00e+00 2.066 0.000 302.00 328.00 3 1.7028e+00 4.4383e-04 2.4631e-02 -6.0000e+00 1.6948e-02 1.7348e-02 4.9713e-04 1.3576e-02 -6.0000e+00 1.8388e-02 8.1326e-04 2.9444e-04 6.7709e-03 -6.0000e+00 1.0974e-02 -4.4604e-03 1.4186e-04 1.9639e-03 -6.0000e+00 4.7007e-03 8.9073e-03 -7.4720e-05 1.0097e-05 2.4582e-05 -6.0000e+00 3.4426e-04 -5.5138e-03 2.4733e-05 11 8 0 10 0 0 99.94 21.16 0.17 -0.00551 -0.00608 769 185 1 5 0 62.920 25.79 20.00 21.16 15.48 37.9 975.90 596 -856 -12 -3349 -5875 -1695 -812 538 779 -130 -3618 -2004 -174 -281 805 754 -894 817 498 1646 1062 -317 807 911 396 1068 478 -993 -925 -91 1674 4 2274 -116 -4368 -2386 -1721 -1053 214 56 -977 -1112 -147 -1022 -423 8 -652 -154 -696 -238 1167 626 802 1412 285 839 1117 563 92 450 546 1370 1265 2233 693 -1283 -242 -1456 698 1598 265 455 -195 574 121 -668 -728 -1803 -505 -261 -1200 -696 -2041 -2025 -573 -530 71 160 839 482 369 485 -773 105 906 390 -28 1104 613 -429 -459 -1408 -1673 212 400 -1370 -294 -751 -290 317 785 372 248 86 -162 -193 519 -253 510 361 -114 -299 617 49 958 871 -832 554 979 350 551 -470 -602 -334 478 -83 -513 347 173 -459 4 -737 80 -123 -2 -451 -814 -227 -117 78 123 -21 -610 -360 -35 -64 206 192 -239 226 143 484 315 -95 251 298 136 373 164 -323 -288 -29 559 1 867 -45 -1657 -930 -747 -494 110 33 -612 -724 -91 -640 -264 5 -422 -98 -440 -154 746 427 574 1057 220 658 832 443 72 354 423 1136 1124 1938 622 -1087 -196 -1196 618 1473 262 437 -194 543 106 -562 -572 -1412 -425 -232 -1193 -715 -2234 -2226 -669 -623 87 197 1017 581 412 525 -794 108 1002 454 -34 1455 792 -565 -568 -1718 -2005 252 510 -1765 -396 -1060 -413 475 1165 546 362 123 -215 -260 676 -347 712 526 -168 -431 898 68 1265 1153 -1082 741 1330 506 795 -699 -923 -514 773 -135 -849 580 288 -743 6 -1171 SS 20231118T160322.3Z 8722.669008 192 1 48.38 2 61.06 170.99 100.54 114.35 0.00 1 0.00 1 0 17 1.169e-02 7.624e-03 3.594e-04 1.478e-04 2.665790e-01 7.788005e-05 3.271662e-03 -6.000000e+00 6.945546e-03 223.12 -2.00 3.52 -2.00 316.62 0.00e+00 3.668210e-04 9.614826e-06 7.968184e-05 -6.000000e+00 3.080285e-04 279.87 -2.00 20.00 -2.00 315.98 0.00e+00 2.057 0.000 302.00 328.00 3 1.8028e-01 2.0114e-04 2.4518e-02 -6.0000e+00 1.7085e-02 8.1682e-03 2.2508e-04 1.3497e-02 -6.0000e+00 1.8538e-02 -2.1896e-04 1.3227e-04 6.7346e-03 -6.0000e+00 1.1064e-02 -3.3769e-03 6.3299e-05 1.9529e-03 -6.0000e+00 4.7385e-03 4.1478e-02 -2.1099e-04 4.5607e-06 2.4865e-05 -6.0000e+00 3.4712e-04 -5.3133e-03 -1.3050e-06 11 8 0 10 0 0 99.66 21.16 0.23 -0.00531 -0.00690 2925 704 1 5 0 16.530 25.68 20.00 21.16 15.72 38.0 978.33 266 -1451 -385 -3753 -5351 -2431 -1189 234 354 -374 -3954 -1938 -268 -145 833 694 -810 939 313 1747 960 -376 758 1059 443 1278 403 -956 -933 248 1752 247 2224 -53 -4409 -2187 -1687 -1015 90 99 -1014 -1017 -304 -838 -346 103 -641 -62 -642 -262 1200 976 729 1365 246 782 1131 550 160 410 580 1380 1283 2142 626 -1327 -225 -1468 695 1555 312 393 -195 516 185 -716 -643 -1807 -456 -279 -1158 -779 -2016 -2103 -569 -564 -10 73 804 384 361 460 -636 82 905 368 -69 1084 580 -465 -412 -1454 -1645 231 435 -1374 -311 -798 -276 289 760 343 193 124 -169 -95 532 -210 543 374 -136 -290 630 88 962 983 -769 596 976 389 505 -472 -625 -357 440 -100 -534 296 130 -453 -15 -746 38 -224 -59 -541 -787 -351 -183 36 60 -66 -714 -371 -57 -35 227 188 -231 277 96 546 304 -120 251 368 161 474 147 -330 -309 83 621 94 901 -22 -1777 -904 -722 -506 49 57 -632 -659 -201 -556 -229 67 -414 -39 -404 -168 815 663 523 1022 190 614 895 433 124 323 451 1149 1144 1874 565 -1130 -183 -1211 618 1445 311 381 -186 491 171 -605 -537 -1506 -386 -250 -1159 -809 -2124 -2344 -642 -674 -12 92 991 449 409 504 -660 85 1014 434 -86 1391 765 -596 -518 -1721 -1911 281 541 -1808 -428 -1103 -386 426 1155 518 277 173 -230 -125 707 -282 776 535 -196 -411 898 120 1300 1270 -976 777 1358 551 748 -691 -944 -542 703 -159 -877 491 215 -727 -24 -1173 SS 20231118T160829.7Z 8722.672566 195 1 48.35 2 60.92 172.36 99.69 115.09 0.00 1 0.00 1 0 17 1.180e-02 7.644e-03 3.133e-04 1.341e-04 2.654578e-01 7.077508e-05 3.259576e-03 -6.000000e+00 7.008853e-03 223.12 -2.00 3.52 -2.00 316.54 0.00e+00 3.536182e-04 8.561634e-06 7.696156e-05 -6.000000e+00 3.108700e-04 279.87 -2.00 20.00 -2.00 315.91 0.00e+00 2.048 0.000 302.00 328.00 3 2.2689e-02 1.8249e-04 2.4410e-02 -6.0000e+00 1.7241e-02 7.4938e-03 2.0420e-04 1.3439e-02 -6.0000e+00 1.8709e-02 -4.2234e-04 1.1969e-04 6.6954e-03 -6.0000e+00 1.1165e-02 -3.2188e-03 5.6907e-05 1.9335e-03 -6.0000e+00 4.7809e-03 4.9087e-02 -4.2718e-04 4.1419e-06 2.5121e-05 -6.0000e+00 3.5037e-04 -4.8311e-03 -4.4642e-05 11 8 0 10 0 0 46.43 21.16 0.23 -0.00483 -0.00804 2984 718 1 5 0 16.200 25.68 19.99 21.16 16.26 38.1 981.46 228 -1684 -437 -4065 -5307 -2662 -1255 76 691 -509 -3678 -1993 -427 -402 916 625 -751 929 438 1696 1102 -430 882 1059 580 1213 551 -1068 -824 168 1827 118 2280 -206 -4420 -2290 -1627 -1015 206 197 -950 -1001 -261 -822 -321 110 -625 -58 -653 -181 1241 951 744 1377 198 835 1068 564 67 421 593 1377 1244 2134 559 -1306 -244 -1434 673 1526 276 401 -207 521 106 -683 -657 -1762 -455 -267 -1159 -761 -2046 -2060 -594 -541 -25 85 788 428 352 443 -682 89 888 396 -53 1117 597 -439 -430 -1427 -1645 222 433 -1382 -314 -788 -313 299 779 340 196 112 -132 -91 563 -203 554 365 -101 -256 672 98 987 961 -762 584 988 384 536 -453 -602 -341 459 -107 -517 286 129 -482 -8 -752 35 -275 -71 -620 -823 -406 -204 12 123 -94 -698 -403 -97 -103 242 179 -225 288 141 558 366 -145 307 387 206 439 211 -388 -287 59 679 44 900 -82 -1735 -923 -731 -495 118 119 -621 -640 -171 -539 -209 71 -398 -39 -431 -122 830 677 558 1020 151 648 836 439 52 327 483 1137 1100 1953 500 -1101 -207 -1237 593 1409 274 406 -206 493 97 -572 -541 -1450 -381 -250 -1152 -787 -2253 -2290 -701 -646 -31 107 971 500 398 484 -704 93 989 466 -66 1434 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