File name: Pandora55s1_QueensNY_20240707_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240708T050854.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240707_L1_smca1c17d20220526p1-8.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: 20240707 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240707T123631.7Z 8954.525367 141 1 50.46 2 57.67 87.00 73.52 73.57 0.00 1 0.00 1 0 25 8.260e-03 6.177e-03 5.707e-04 2.724e-04 2.588599e-01 1.454818e-04 3.093968e-03 -6.000000e+00 4.999739e-03 232.89 -2.00 3.51 -2.00 316.34 0.00e+00 -5.984276e-05 1.668261e-05 5.904355e-05 -6.000000e+00 2.231977e-04 288.89 -2.00 20.00 -2.00 315.53 0.00e+00 1.863 0.000 302.00 328.00 3 1.1166e+00 3.8172e-04 2.3154e-02 -6.0000e+00 1.2540e-02 -3.6251e-03 4.2475e-04 1.3560e-02 -6.0000e+00 1.3523e-02 -2.9234e-03 2.4431e-04 6.5449e-03 -6.0000e+00 8.0527e-03 -1.5314e-03 1.1204e-04 1.7778e-03 -6.0000e+00 3.3908e-03 1.9851e-02 3.9974e-04 8.4238e-06 2.3672e-05 -6.0000e+00 2.4852e-04 1.3090e-02 0.0000e+00 11 1 0 11 4 0 99.57 22.79 0.20 0.01309 0.01609 702 133 1 5 0 71.870 26.11 20.01 22.79 33.51 37.9 1100.00 -1428 -2768 -3264 -1912 -409 299 1074 893 -872 -140 558 945 553 663 -558 -450 -181 428 453 -346 989 1109 937 493 244 -476 -572 399 1378 1311 1450 1424 -1058 -703 121 124 207 271 -756 -1292 -1115 -1226 -1111 -815 -704 -1055 -790 -740 354 561 542 775 698 501 464 780 299 668 821 1433 1249 1220 489 -539 -41 105 496 1312 899 184 -224 -646 -458 -700 -176 211 517 1235 232 62 -710 -1404 -1160 -971 -946 -636 -447 -374 -574 -106 306 366 1316 1421 1265 795 759 -391 -549 -490 -531 -10 749 23 -742 -334 -795 -153 -122 -104 -350 -336 -189 -85 539 786 840 670 -39 -584 -423 -268 -333 128 172 450 1332 1026 448 506 11 297 159 292 -252 -143 123 -404 -460 -229 -270 -248 87 -270 -554 -638 -339 -67 49 191 178 -190 -31 124 209 139 189 -168 -144 -60 147 161 -120 364 411 337 189 99 -196 -228 149 520 499 552 586 -469 -308 51 53 94 137 -431 -795 -737 -845 -743 -546 -494 -736 -539 -493 231 373 382 554 528 378 360 617 241 531 643 1123 1022 1027 427 -495 -37 92 403 1105 787 173 -219 -657 -461 -677 -164 184 431 991 198 57 -674 -1413 -1242 -1056 -1059 -758 -541 -463 -710 -125 347 394 1346 1481 1340 895 913 -485 -717 -634 -669 -12 859 28 -919 -423 -1059 -205 -166 -151 -516 -502 -272 -118 733 1007 1104 886 -53 -830 -616 -388 -469 178 237 586 1702 1312 587 685 15 424 232 429 -381 -227 196 -659 -757 -370 -435 -384 136 SS 20240707T124530.6Z 8954.531604 144 1 23.58 2 55.97 88.42 71.95 74.86 0.00 1 0.00 1 0 17 2.934e-02 9.850e-03 6.936e-03 2.975e-03 2.492542e-01 1.587015e-03 2.957271e-03 -6.000000e+00 1.775429e-02 232.89 -2.00 3.51 -2.00 316.55 0.00e+00 -1.298394e-03 1.914919e-04 6.637003e-05 -6.000000e+00 7.927147e-04 288.89 -2.00 20.00 -2.00 315.73 0.00e+00 1.781 0.000 302.00 328.00 3 4.9295e+00 4.1791e-03 2.2193e-02 -6.0000e+00 4.4530e-02 2.3795e-02 4.6577e-03 1.3124e-02 -6.0000e+00 4.8024e-02 6.7337e-03 2.6970e-03 6.3032e-03 -6.0000e+00 2.8597e-02 -5.5047e-03 1.2542e-03 1.9334e-03 -6.0000e+00 1.2038e-02 4.7669e-04 3.3628e-04 9.2169e-05 2.3330e-05 -6.0000e+00 8.8264e-04 1.4617e-02 0.0000e+00 12 9 9 12 37 1 99.96 22.81 0.10 0.01462 0.01714 7 3 1 5 0 2945.420 26.11 20.00 22.81 34.31 37.9 1100.00 -8842 14883 -12641 -6752 6589 2567 13768 4818 -1728 89 -2791 647 -5049 7676 -2574 -4431 9166 4748 1404 -2455 1255 1688 -2482 -49 -32 -1657 -238 -1176 -549 74 1155 1067 -3510 -977 4749 -2386 -1411 955 672 -1322 -2265 -2178 -1912 -1216 2046 -2491 1565 -545 1302 -99 -228 -947 -117 2014 906 2433 1117 2326 550 2165 1694 1562 -839 253 -2095 903 -247 1567 950 -227 827 312 -1076 820 130 59 1426 623 -311 -922 -385 -1729 -1354 -1533 -240 -1416 -379 21 -250 -129 -350 84 907 892 980 -567 523 -701 -14 -605 -825 -497 981 546 -597 -93 -1253 367 634 206 -697 260 -232 -58 89 283 1051 609 -49 -1141 -251 25 569 115 3 -259 1270 637 212 932 342 661 62 856 -244 162 202 -322 -708 -154 -272 -606 -373 -1554 2195 -2313 -1094 891 366 1942 821 -332 17 -559 134 -1211 1834 -730 -1343 2568 1422 445 -822 413 558 -878 -18 -12 -644 -89 -424 -189 25 414 407 -1442 -391 1762 -955 -614 466 373 -814 -1482 -1464 -1300 -823 1352 -1683 1013 -352 823 -64 -154 -674 -86 1503 695 1885 880 1810 429 1679 1352 1308 -749 229 -1908 770 -203 1272 818 -211 803 310 -1078 789 119 51 1150 496 -258 -826 -368 -1770 -1438 -1689 -273 -1692 -465 27 -311 -157 -406 92 942 913 1038 -642 626 -894 -18 -789 -1038 -596 1142 649 -745 -120 -1674 499 887 298 -1044 390 -342 -82 120 369 1357 806 -68 -1645 -366 36 811 160 4 -342 1620 815 280 1275 484 950 90 1272 -377 256 325 -527 -1168 -251 -435 -951 -579 SS 20240707T125055.6Z 8954.535365 148 1 50.53 2 54.94 89.29 70.99 75.64 0.00 1 0.00 1 0 25 1.256e-02 6.421e-03 2.429e-03 1.011e-03 2.423257e-01 5.375073e-04 2.895866e-03 -6.000000e+00 7.603719e-03 232.89 -2.00 3.51 -2.00 316.71 0.00e+00 -2.180778e-05 6.739173e-05 5.865492e-05 -6.000000e+00 3.394449e-04 288.89 -2.00 20.00 -2.00 315.88 0.00e+00 1.736 0.000 302.00 328.00 3 3.6601e+00 1.4187e-03 2.1634e-02 -6.0000e+00 1.9071e-02 8.8691e-03 1.5822e-03 1.2739e-02 -6.0000e+00 2.0566e-02 3.9930e-03 9.1767e-04 6.1474e-03 -6.0000e+00 1.2247e-02 -4.5092e-03 4.2942e-04 1.6706e-03 -6.0000e+00 5.1569e-03 1.8000e-03 4.8605e-04 3.1475e-05 2.1743e-05 -6.0000e+00 3.7795e-04 1.3072e-02 0.0000e+00 11 9 0 11 4 0 99.99 22.80 0.21 0.01307 0.01672 173 33 1 5 0 291.990 26.11 19.98 22.80 34.59 38.0 1100.00 -4175 3185 -5660 -289 1620 794 5585 562 279 -2161 1767 -1060 391 1171 393 -1577 -4722 1567 851 -945 1002 1836 -797 1118 -410 1706 -1189 1157 303 2002 2062 987 -1132 -1127 2087 -678 346 -69 -57 -1859 -936 -1856 -1221 -716 -539 -1038 -944 -191 174 1027 42 412 858 854 664 891 498 729 754 1071 1808 1119 367 -521 -321 387 294 1294 1105 389 -133 -249 -655 -333 -394 461 554 1301 154 -173 -499 -1563 -962 -1032 -910 -967 -279 -467 -573 -198 217 349 999 1497 1053 665 645 -126 -530 -382 -557 -23 757 113 -707 -416 -684 -172 193 -44 -273 -386 -128 -225 472 661 835 651 -64 -576 -558 -122 -175 183 54 456 1214 958 341 514 28 355 266 296 -184 -184 237 -439 -418 -372 -177 -254 35 -683 505 -947 -43 222 111 812 94 50 -402 321 -210 85 282 104 -449 -1430 463 261 -302 317 580 -266 385 -148 614 -428 389 99 647 700 361 -437 -433 759 -256 142 -33 -31 -1111 -586 -1205 -803 -469 -354 -678 -605 -120 108 644 27 283 611 628 498 681 384 559 573 817 1413 923 320 -470 -285 325 236 1032 931 355 -128 -245 -647 -319 -360 390 441 1008 125 -152 -472 -1582 -1012 -1126 -1037 -1150 -342 -582 -713 -241 251 380 1026 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