File name: Pandora75s1_EssexMD_20250128_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250129T052446.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250128_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250128 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250128T131141.1Z 9159.549781 66 1 51.75 2 81.29 122.03 80.56 135.40 0.00 1 0.00 1 0 17 5.490e-01 1.621e-02 1.121e-01 3.013e-03 7.577909e-01 1.658186e-03 9.084541e-03 -6.000000e+00 3.238010e-01 224.36 -2.00 3.48 -2.00 321.50 0.00e+00 9.772083e-03 8.463987e-04 5.332914e-03 -6.000000e+00 1.439904e-02 276.60 -2.00 20.00 -2.00 321.01 0.00e+00 6.240 0.004 302.00 328.00 3 1.2292e+00 5.6624e-03 7.5556e-02 -6.0000e+00 7.9872e-01 3.2372e-01 7.8673e-03 4.4866e-02 -6.0000e+00 8.7022e-01 -4.8923e-01 8.0633e-03 2.9020e-02 -6.0000e+00 5.1858e-01 1.9850e-01 3.7703e-03 1.3037e-02 -6.0000e+00 2.1630e-01 1.5050e-04 -7.1312e-04 8.7115e-05 2.4771e-04 -6.0000e+00 1.6995e-02 1.2138e-02 -8.0724e-05 12 8 8 10 0 0 98.40 22.95 0.90 0.01214 0.00678 103 17 1 5 0 502.340 25.79 20.00 22.95 10.64 5.8 903.42 -292961 -173933 900000 -126323 -148856 -218873 -130957 -187392 -194692 -150568 -107314 -126936 -29477 -100124 -66640 -67680 -66523 -16334 -57051 -63786 25510 -14064 -44669 -53607 -56834 -61645 -59751 -61489 -33896 -23531 26641 -25644 49357 -25740 4857 13696 3063 -11183 20335 16830 6941 21868 13703 12263 7177 26723 14356 9164 11249 20809 14621 13076 16570 21296 12783 17092 5146 6928 4476 4657 3929 6867 7621 14696 9200 7980 7665 4484 7454 5963 5610 6358 3270 -1275 228 -454 -805 -1183 -3194 -2674 -2657 -1232 -1315 -1464 -1457 8 243 1507 83 -414 -424 -2443 -1999 -3668 -2848 -986 126 -677 880 -810 -1447 -1901 -2100 -1945 -2165 -1532 -1147 -566 292 952 944 276 23 -623 -991 -255 -150 -273 174 827 1430 1189 1595 1177 1295 94 319 -545 608 413 356 -3 -245 -194 -88 41 381 470 -107 303 -522 -750 -1017 -10171 -2183 900000 -1046 -1431 -4033 -1014 -2702 -3224 -1689 -831 -1390 -157 -1444 -890 -1121 -1261 -230 -1307 -1630 270 -219 -958 -1307 -1486 -1739 -1668 -1734 -747 -525 438 -866 913 -1081 148 382 103 -499 789 791 404 1182 849 800 506 1601 1012 716 919 1681 1400 1421 1913 2540 1754 2320 798 1044 675 696 619 1166 1469 2970 2092 1854 1810 1150 2052 1885 1943 2266 1180 -451 72 -132 -224 -346 -1090 -1084 -1268 -603 -709 -846 -898 5 163 1025 57 -275 -265 -1480 -1193 -2363 -2070 -826 122 -694 959 -898 -1519 -1986 -2038 -1884 -2218 -1516 -1209 -645 369 1348 1370 429 36 -963 -1480 -370 -220 -420 280 1352 2285 1835 2364 1832 1943 139 470 -802 1004 773 684 -6 -544 -428 -206 99 951 1182 -267 718 -1171 -1711 -2289 SS 20250128T132543.0Z 9159.559525 71 1 51.58 2 79.02 124.51 78.74 137.90 0.00 1 0.00 1 0 17 4.377e-01 1.166e-02 7.404e-02 2.168e-03 6.483655e-01 1.169175e-03 7.786014e-03 -6.000000e+00 2.580880e-01 224.36 -2.00 3.48 -2.00 320.93 0.00e+00 6.286268e-03 5.085943e-04 3.880539e-03 -6.000000e+00 1.132667e-02 276.60 -2.00 20.00 -2.00 320.41 0.00e+00 5.063 0.002 302.00 328.00 3 1.8323e+00 3.6791e-03 6.1657e-02 -6.0000e+00 6.3665e-01 1.1968e-01 4.8456e-03 3.7202e-02 -6.0000e+00 6.9369e-01 -1.7169e-01 4.8413e-03 2.2906e-02 -6.0000e+00 4.1316e-01 6.1996e-02 2.3542e-03 9.4503e-03 -6.0000e+00 1.7168e-01 2.8062e-04 -7.3890e-04 6.4985e-05 1.5895e-04 -6.0000e+00 1.3535e-02 1.1452e-02 -1.7061e-04 12 8 8 10 0 0 99.98 22.96 0.74 0.01145 0.00590 191 31 1 5 0 270.030 25.79 20.00 22.96 11.95 5.8 913.85 -250645 -167598 -65614 -120577 -144641 -118327 -122348 -136606 -118523 -128710 -57969 -136678 -74928 -88205 -35521 -49308 -15822 -27508 -41699 -40302 -2727 -11177 -41439 -19990 -42873 -22875 -30787 -19537 -21507 -13552 -9240 -16300 10101 -13329 -6403 -6451 -5593 -1303 8223 856 -2364 6815 1896 4062 2297 8313 3238 5054 3639 6726 3012 4652 7075 9811 6550 5303 1496 583 1443 672 2742 5006 5145 4358 3374 2749 3585 1394 2208 4111 2519 3310 533 -689 234 -2487 -2858 -1800 -2053 -3083 -1704 -1486 -1556 -1604 -1304 252 -2 821 790 15 81 -1225 -1533 -2057 -1421 -1 272 282 668 -772 -764 -1840 -1619 -1058 -1586 -1241 -781 -47 359 1221 973 661 178 -409 -802 -119 -186 184 400 362 1007 895 1275 760 572 -455 266 -438 461 45 -500 -517 -489 -12 -3 155 417 534 -200 304 -102 -470 -773 -6888 -2383 -366 -1159 -1668 -1023 -1152 -1628 -1298 -1682 -441 -2629 -982 -1715 -518 -1001 -264 -576 -1093 -1099 -52 -236 -1226 -507 -1450 -662 -983 -553 -632 -404 -313 -706 386 -690 -307 -312 -293 -77 528 70 -224 638 197 429 253 887 375 598 461 890 458 774 1261 1842 1344 1143 342 134 322 151 631 1242 1442 1368 1124 918 1188 491 848 1751 1084 1469 240 -326 101 -998 -1093 -700 -898 -1457 -925 -914 -1048 -1154 -999 202 -2 702 672 12 62 -905 -1109 -1561 -1199 -1 276 324 817 -955 -888 -1974 -1619 -1060 -1690 -1396 -930 -60 464 1738 1520 1086 293 -655 -1230 -176 -278 286 654 607 1665 1434 1966 1135 822 -640 369 -648 753 76 -934 -1031 -1028 -25 -6 357 979 1268 -472 685 -219 -1029 -1675 SS 20250128T134804.5Z 9159.575052 83 1 51.62 2 75.54 128.63 76.01 142.05 0.00 1 0.00 1 0 17 1.685e-01 8.333e-03 8.797e-03 5.723e-04 5.208912e-01 2.976020e-04 6.006499e-03 -6.000000e+00 9.943246e-02 224.36 -2.00 3.48 -2.00 319.61 0.00e+00 2.917247e-03 8.748302e-05 1.426718e-03 -6.000000e+00 4.359143e-03 276.60 -2.00 20.00 -2.00 319.03 0.00e+00 3.923 0.001 302.00 328.00 3 7.7996e-01 8.3701e-04 4.7057e-02 -6.0000e+00 2.4528e-01 2.0377e-02 9.8809e-04 2.6504e-02 -6.0000e+00 2.6717e-01 -4.2898e-02 8.2034e-04 1.4252e-02 -6.0000e+00 1.5914e-01 1.0257e-02 4.2757e-04 5.2199e-03 -6.0000e+00 6.6189e-02 2.7457e-03 1.1751e-04 1.7352e-05 6.7300e-05 -6.0000e+00 5.2081e-03 9.5289e-03 1.4323e-05 11 8 0 10 0 0 99.95 22.96 0.51 0.00953 0.01041 585 95 1 5 0 88.230 25.79 20.00 22.96 12.79 5.8 918.69 -77076 -55995 -48800 -50381 -60097 -59891 -51603 -52123 -46685 -49673 -44567 -45825 -31662 -26124 -19491 -14129 -9352 -6391 -6309 -5077 -5175 -5482 -7745 -7312 -7197 -5556 -9061 -10144 -8533 -6677 -4145 -2983 -698 -4186 -5516 -5794 -4834 -2080 472 126 299 712 1029 1507 750 1817 1300 890 1073 1515 1849 1792 2514 2683 1990 1642 1141 224 -110 367 1350 2484 3122 2903 1627 966 164 498 877 1582 1198 1336 766 91 -510 -1596 -2164 -2458 -2198 -1977 -1605 -1930 -1894 -1641 -864 -301 460 943 709 740 436 -224 -770 -845 -692 -111 521 531 245 -319 -1080 -1484 -936 -707 -968 -1114 -538 -149 540 975 771 483 176 -196 -332 -198 31 263 428 354 575 738 779 600 528 -82 -38 100 65 -39 -334 -482 -265 -128 18 113 457 421 180 186 -276 -728 -716 -1587 -1088 -948 -984 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