File name: Pandora55s1_QueensNY_20230513_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113321.5Z 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_20230513_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: 20230513 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 20230513T141130.1Z 8533.591321 271 1 51.20 2 40.84 111.03 62.37 214.79 0.00 1 0.00 1 0 17 2.384e-02 8.366e-03 3.821e-03 1.652e-03 2.529816e-01 8.693140e-04 3.024706e-03 -6.000000e+00 1.427339e-02 230.94 -2.00 3.51 -2.00 316.52 0.00e+00 -8.791280e-05 1.032569e-04 8.695026e-05 -6.000000e+00 6.274246e-04 283.43 -2.00 20.00 -2.00 315.79 0.00e+00 1.320 0.000 302.00 328.00 3 5.2836e+00 2.2798e-03 1.8816e-02 -6.0000e+00 3.5691e-02 -2.3760e-02 2.5449e-03 1.3068e-02 -6.0000e+00 3.8607e-02 1.0575e-03 1.4712e-03 6.3805e-03 -6.0000e+00 2.2969e-02 -2.2115e-03 6.7865e-04 1.7505e-03 -6.0000e+00 9.5706e-03 5.2152e-04 -7.9450e-05 5.1016e-05 2.3055e-05 -6.0000e+00 7.1250e-04 2.0654e-02 0.0000e+00 11 9 0 11 40 0 99.93 22.67 0.31 0.02065 0.02006 19 4 1 5 0 2694.170 26.00 20.00 22.67 31.61 35.5 1100.00 -9423 -8580 11102 -11128 -865 1797 570 8671 2151 -196 -4825 -2249 6903 32 4861 -2025 -3951 1609 4133 3349 3212 1454 687 -2695 527 -638 -297 -889 -877 -827 461 2518 437 -3377 -1569 3550 -2142 -1105 624 305 -1947 788 -2445 -1170 -967 467 -2101 688 312 613 620 -406 -620 2037 1810 796 2090 900 891 943 665 1760 918 -706 -209 -1566 844 174 1470 877 -672 -251 56 -983 596 -335 358 1368 531 -354 -795 -537 -1134 -1054 -1400 -679 -1018 -324 -344 -56 -355 -123 505 1091 795 1139 210 439 -299 -893 -377 -461 -21 1138 289 -264 -480 -749 3 711 96 -631 -40 -159 -282 357 505 715 566 -522 -923 -295 299 277 173 -125 257 1279 684 -39 748 178 580 402 435 31 72 28 -215 -870 -244 -517 -89 -237 -1589 -1565 1747 -2063 -136 261 86 1333 385 -38 -982 -454 1387 8 1232 -590 -1229 493 1282 1076 1052 488 233 -973 195 -246 -115 -335 -316 -288 162 918 172 -1413 -640 1355 -880 -496 315 173 -1219 508 -1651 -793 -656 313 -1419 450 201 394 406 -278 -445 1488 1364 615 1630 710 699 735 523 1418 780 -635 -191 -1420 717 143 1209 767 -634 -247 56 -980 572 -307 307 1104 427 -299 -723 -522 -1166 -1127 -1552 -780 -1218 -398 -428 -70 -428 -142 547 1128 820 1218 239 533 -383 -1176 -489 -577 -25 1328 347 -330 -624 -1001 4 997 140 -945 -60 -233 -396 479 657 930 755 -729 -1334 -430 432 394 241 -170 338 1635 881 -51 1035 254 838 588 652 48 114 45 -353 -1435 -398 -828 -140 -368 SS 20230513T142212.9Z 8533.598761 274 1 51.07 2 38.96 113.70 63.49 217.34 0.00 1 0.00 1 0 17 2.151e-02 8.586e-03 3.822e-03 1.748e-03 2.413704e-01 9.200892e-04 2.887052e-03 -6.000000e+00 1.287561e-02 230.94 -2.00 3.51 -2.00 316.38 0.00e+00 -2.937405e-04 1.056416e-04 6.282871e-05 -6.000000e+00 5.660502e-04 283.44 -2.00 20.00 -2.00 315.66 0.00e+00 1.285 0.000 302.00 328.00 3 5.4399e+00 2.4086e-03 1.8117e-02 -6.0000e+00 3.2196e-02 -2.6551e-02 2.6868e-03 1.2458e-02 -6.0000e+00 3.4828e-02 2.7848e-03 1.5482e-03 6.0845e-03 -6.0000e+00 2.0721e-02 -1.5147e-03 7.0813e-04 1.6729e-03 -6.0000e+00 8.6319e-03 4.7243e-04 -3.0163e-04 5.3993e-05 2.2120e-05 -6.0000e+00 6.4285e-04 2.1961e-02 0.0000e+00 11 9 0 11 32 0 94.83 22.67 0.14 0.02196 0.01969 17 3 1 5 0 3003.380 26.00 20.02 22.67 32.16 35.5 1100.00 -7491 -7160 -2091 -10279 1672 5531 -67 10975 1231 -180 -2770 -1771 -2936 659 5243 -339 -3564 1019 6311 2933 3688 510 2613 -2511 977 -1225 -7 -811 -1436 -707 572 2227 -490 -3757 -1790 4197 -1429 -1077 1199 907 -1598 1108 -2548 -1266 -1049 -248 -1706 936 -479 800 361 -352 -240 2396 1806 717 692 864 1515 1547 631 1487 711 -584 -73 -1617 837 -99 1417 447 -385 99 286 -1016 449 -537 467 1270 712 -758 -628 -316 -1144 -1059 -1549 -790 -1510 -239 148 -108 -189 13 372 1230 1083 966 -51 160 -251 -1293 -252 -583 -80 1055 300 -419 -337 -942 -64 695 350 -478 32 -269 -231 389 539 1188 132 -215 -1000 -438 440 379 170 73 198 933 737 9 808 452 488 408 588 -105 236 110 -481 -768 -399 -534 -379 -55 -1347 -1395 -399 -2033 277 836 -11 1774 238 -37 -593 -382 -682 165 1400 -103 -1161 330 2012 989 1261 180 914 -945 375 -495 -3 -318 -542 -256 208 841 -200 -1622 -751 1638 -600 -497 618 526 -1023 730 -1760 -879 -726 -171 -1175 624 -317 522 240 -245 -174 1770 1380 562 551 691 1200 1217 503 1213 612 -531 -67 -1480 717 -82 1171 394 -365 98 287 -1020 434 -498 402 1031 574 -643 -572 -307 -1179 -1133 -1720 -910 -1817 -294 184 -134 -228 15 404 1273 1116 1033 -58 194 -320 -1703 -326 -726 -95 1227 360 -524 -438 -1260 -87 973 507 -714 48 -393 -323 519 697 1529 176 -298 -1438 -636 634 537 236 99 260 1189 943 11 1107 637 700 592 872 -162 371 176 -782 -1257 -645 -849 -589 -84 SS 20230513T145015.5Z 8533.618235 290 1 48.93 2 34.25 121.59 66.75 223.71 0.00 1 0.00 1 0 17 6.289e-02 3.176e-02 3.610e-03 1.873e-03 2.252323e-01 9.871835e-04 2.693249e-03 -6.000000e+00 3.760015e-02 230.95 -2.00 3.51 -2.00 315.97 0.00e+00 3.957287e-03 1.037640e-04 2.728698e-04 -6.000000e+00 1.654079e-03 283.44 -2.00 20.00 -2.00 315.29 0.00e+00 1.209 0.000 302.00 328.00 3 5.6048e+00 2.5684e-03 1.7139e-02 -6.0000e+00 9.4018e-02 3.7331e-02 2.8565e-03 1.2842e-02 -6.0000e+00 1.0175e-01 -4.3371e-02 1.6288e-03 5.7869e-03 -6.0000e+00 6.0535e-02 1.9278e-02 7.3303e-04 3.3667e-03 -6.0000e+00 2.5178e-02 4.3082e-04 -1.6604e-03 5.7693e-05 3.1976e-05 -6.0000e+00 1.8799e-03 3.1461e-02 0.0000e+00 12 8 8 10 0 0 99.05 22.67 0.24 0.03146 0.01898 13 2 1 5 0 3762.770 26.00 20.01 22.67 32.28 35.7 1100.00 4922 5202 20444 5014 11957 16652 9244 14727 6455 930 -1517 -1574 43 3643 12796 5479 3365 -56197 12609 10908 10968 7589 6822 1434 -7 -369 4384 -1095 -784 1866 2100 5907 4287 -67 2382 7308 1708 -94 1840 194 -3028 -265 -3205 -1253 -504 1863 -214 2407 1536 3049 2573 1167 1147 3613 2144 610 1270 -158 161 -365 89 2084 818 -946 380 -826 1717 560 1724 1014 -1074 -49 -81 -1388 -19 -1413 -686 769 136 -629 -1287 -169 -1360 -1246 -1630 -1407 -1615 -776 -951 -525 -410 -604 -175 889 149 949 102 562 -227 -893 291 -12 78 1271 167 -424 -499 -953 -121 860 449 -558 509 -24 -77 476 665 1299 559 -355 -800 -486 590 276 253 -254 -8 999 450 378 845 695 745 925 656 -208 434 325 -312 -830 -670 -760 -562 -724 1059 1214 4291 1159 2404 3004 1785 2885 1460 228 -379 -398 12 1058 3845 1895 1239 -33240 4557 4100 4186 2975 2677 596 -3 -163 1863 -472 -324 737 841 2425 1892 -31 1076 3084 769 -47 1015 120 -2064 -185 -2343 -917 -368 1343 -155 1692 1067 2084 1786 848 867 2775 1702 494 1038 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