File name: Pandora187s1_PittsburghPA_20220719_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20251128T083303.6Z 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: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20220719_L1_smca1c3d20220705p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20220719 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20220719T115246.4Z 8235.494982 230 1 45.41 2 71.78 77.85 43.29 213.10 0.00 1 0.00 1 0 25 1.145e-01 9.365e-03 1.515e-01 7.477e-03 4.078182e-01 3.924937e-03 4.829019e-03 -6.000000e+00 6.741360e-02 232.56 -2.00 3.49 -2.00 319.87 0.00e+00 -2.811912e-04 1.220022e-03 9.728616e-04 -6.000000e+00 2.999887e-03 288.64 -2.00 20.00 -2.00 319.10 0.00e+00 3.157 0.001 302.00 328.00 3 4.3430e+00 1.1542e-02 3.7929e-02 -6.0000e+00 1.6908e-01 -2.2274e-02 1.3928e-02 2.2708e-02 -6.0000e+00 1.8262e-01 2.3288e-02 1.1023e-02 1.0757e-02 -6.0000e+00 1.0871e-01 -1.0970e-02 5.6486e-03 2.9459e-03 -6.0000e+00 4.6027e-02 1.9796e-04 -3.7304e-04 2.2682e-04 3.5336e-05 -6.0000e+00 3.2010e-03 1.2166e-02 0.0000e+00 12 9 8 11 8 0 99.98 18.66 0.53 0.01217 0.00936 38 12 1 5 0 1194.640 21.98 15.00 18.66 28.29 20.1 995.07 13423 92589 21190 -1868 -35760 -24880 -20378 -12459 -3914 -1179 -42420 -13296 -19568 -18150 -2171 -183 -2629 885 -6821 3588 13652 -6743 -23435 -7240 5632 -18085 -5449 -12615 -10282 6522 693 -11899 35543 8494 -7153 -1386 -1926 -175 -1411 -384 -2402 -2147 638 4759 -793 2078 900 -1243 -255 652 2756 -1256 725 3 3098 1292 4004 755 3440 -92 1242 1390 4054 1713 1681 -1569 -872 43 -151 1399 -362 1171 110 -720 -1578 -202 -2684 -623 -1793 -914 -2639 -576 -1634 -1734 -213 -271 687 841 2109 1105 1067 8 1977 -310 -517 -686 206 -2501 248 880 -334 -693 521 88 -1808 -135 -914 83 980 212 -8 1155 224 -324 -365 -367 -304 -282 -544 -583 -598 132 107 -61 99 -756 1680 476 1346 483 403 567 454 420 24 -384 389 -378 -49 -259 -596 -556 166 675 273 -28 -702 -446 -389 -273 -88 -27 -1521 -396 -737 -805 -96 -9 -141 49 -431 214 746 -459 -2008 -572 417 -1769 -463 -1088 -843 479 61 -1323 2699 846 -795 -152 -242 -26 -258 -80 -556 -520 155 1119 -198 508 221 -313 -65 173 785 -404 246 1 1131 496 1518 292 1271 -36 503 619 1933 881 842 -764 -412 21 -83 852 -240 778 72 -445 -894 -102 -1314 -308 -1010 -586 -1945 -456 -1388 -1570 -204 -276 722 892 2161 1073 956 6 1570 -265 -493 -740 248 -3372 331 1109 -391 -753 556 101 -2262 -174 -1256 120 1519 357 -13 1989 370 -501 -531 -525 -450 -445 -915 -1003 -1014 216 168 -92 142 -1047 2275 702 2154 836 732 979 819 805 50 -808 830 -818 -103 -521 -1151 -1044 SS 20220719T123251.2Z 8235.522814 252 1 35.50 2 64.26 83.88 47.87 225.29 0.00 1 0.00 1 0 25 1.576e-02 6.106e-03 9.658e-03 1.775e-03 3.013574e-01 9.190658e-04 3.594538e-03 -6.000000e+00 9.276812e-03 232.56 -2.00 3.49 -2.00 318.38 0.00e+00 6.222298e-04 1.772827e-04 1.717680e-04 -6.000000e+00 4.127850e-04 288.65 -2.00 20.00 -2.00 317.52 0.00e+00 2.289 0.000 302.00 328.00 3 2.7266e+00 2.5118e-03 2.7485e-02 -6.0000e+00 2.3268e-02 -1.6056e-03 2.8564e-03 1.6061e-02 -6.0000e+00 2.5129e-02 4.3837e-03 1.8329e-03 7.7320e-03 -6.0000e+00 1.4959e-02 -7.5233e-03 9.3810e-04 2.2147e-03 -6.0000e+00 6.3345e-03 2.5939e-03 -2.8738e-04 5.3344e-05 2.4880e-05 -6.0000e+00 4.4043e-04 1.1328e-02 0.0000e+00 12 1 1 12 1 1 99.99 18.65 0.37 0.01133 0.00917 153 61 1 5 0 229.380 21.98 14.99 18.65 29.74 20.3 1005.75 -4815 -2749 -2872 -5930 -6144 -2409 -5180 -3993 -1982 -3149 -4774 -3593 -1475 -2586 -120 -524 -501 -653 1177 1328 721 372 250 390 12 -664 -1528 -1991 -2239 971 22 1719 1062 -1869 -4307 -2929 -2773 -1626 -590 -841 -1112 -622 -590 363 766 -28 166 -609 -426 496 1143 243 1113 505 1153 1362 1087 661 695 1000 1607 1979 1919 1311 -233 -246 -919 206 349 465 394 542 468 487 234 122 -667 -660 -518 -1091 -1018 -1873 -2146 -1278 -769 -445 263 562 674 493 421 -299 -181 -79 -304 26 597 330 -229 -191 -793 -594 164 -233 -1116 -519 -530 -104 609 395 192 289 408 29 161 -38 -266 -290 -488 -629 -186 5 134 475 201 -149 1027 965 818 847 300 420 332 324 -103 -194 149 -425 -446 5 -418 -596 -269 -163 -171 -335 -316 -131 -317 -272 -145 -242 -374 -299 -139 -286 -15 -71 -71 -97 180 210 116 60 42 70 2 -130 -296 -362 -391 169 4 354 237 -425 -948 -657 -703 -485 -209 -340 -483 -280 -272 167 351 -13 75 -272 -190 227 559 128 618 269 628 757 612 406 419 610 936 1251 1317 939 -162 -159 -629 143 245 365 330 462 390 383 168 87 -445 -445 -386 -845 -880 -1776 -2152 -1350 -869 -533 326 703 825 566 444 -290 -167 -75 -318 31 773 425 -300 -238 -999 -695 190 -292 -1510 -671 -719 -148 918 636 319 470 625 41 232 -53 -358 -417 -753 -1002 -293 7 197 664 293 -207 1402 1283 1175 1292 477 682 561 580 -180 -351 275 -794 -818 10 -768 -1070 SS 20220719T133513.5Z 8235.566129 289 1 45.67 2 52.42 93.90 56.97 240.82 0.00 1 0.00 1 0 25 1.010e-02 6.655e-03 7.299e-04 3.184e-04 2.188202e-01 1.652970e-04 2.653417e-03 -6.000000e+00 5.946178e-03 232.56 -2.00 3.49 -2.00 316.57 0.00e+00 5.330104e-04 1.982059e-05 7.274732e-05 -6.000000e+00 2.645495e-04 288.65 -2.00 20.00 -2.00 315.75 0.00e+00 1.636 0.000 302.00 328.00 3 7.0943e-01 4.3534e-04 1.9737e-02 -6.0000e+00 1.4914e-02 -4.7307e-03 4.8585e-04 1.1579e-02 -6.0000e+00 1.6106e-02 2.5923e-03 2.8099e-04 5.5877e-03 -6.0000e+00 9.5877e-03 -6.1504e-03 1.3165e-04 1.5911e-03 -6.0000e+00 4.0609e-03 4.1581e-02 -1.2605e-04 9.3305e-06 1.9422e-05 -6.0000e+00 2.8224e-04 9.9572e-03 0.0000e+00 11 8 0 10 0 0 99.83 18.65 0.36 0.00996 0.00901 1140 350 1 5 0 39.810 21.98 15.00 18.65 33.50 20.5 1031.44 -73 -679 -1368 -3933 -2999 -1440 -184 33 -649 -1955 -2575 -651 -425 157 471 5 404 779 1078 1504 443 1144 1690 1137 618 443 -337 -1019 -297 914 1088 1473 542 -2566 -3494 -2814 -2267 -1362 -588 -817 -1034 -617 -624 -147 240 -311 -340 -462 -551 504 641 545 1033 753 944 1135 866 435 622 914 1309 1576 1901 1070 -257 -433 -794 -135 431 156 287 188 520 548 162 134 -550 -596 -534 -1042 -969 -1884 -2112 -1298 -842 -395 266 463 500 475 245 -435 -222 -118 -179 89 832 557 -157 -316 -782 -724 125 -251 -951 -457 -519 -53 538 480 232 313 501 124 145 -32 -346 -234 -389 -515 -302 -42 160 371 287 -189 1017 986 897 887 434 383 384 336 -59 -130 80 -384 -383 -124 -570 -797 -12 -121 -244 -654 -445 -208 -28 6 -122 -382 -498 -130 -95 40 132 1 125 249 355 508 152 388 590 420 239 175 -131 -369 -100 308 389 561 222 -1060 -1366 -1123 -1013 -647 -330 -520 -643 -395 -407 -96 155 -200 -231 -306 -358 332 448 370 735 559 713 872 672 335 471 699 1051 1365 1759 945 -236 -364 -633 -108 381 143 279 186 503 502 148 109 -415 -448 -439 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