File name: Pandora64s1_NewHavenCT_20250319_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250320T052427.8Z 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 v1.8.74 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250319_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: 20250319 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 20250319T113930.2Z 9209.485766 242 1 48.54 2 82.70 96.93 79.01 223.25 0.00 1 0.00 1 0 25 4.349e-01 3.211e-02 1.776e-01 6.710e-03 8.085458e-01 3.861782e-03 9.935821e-03 -6.000000e+00 2.612399e-01 226.43 -2.00 3.52 -2.00 321.76 0.00e+00 3.698599e-02 1.899183e-03 1.472998e-03 -6.000000e+00 1.133084e-02 277.21 -2.00 20.00 -2.00 321.30 0.00e+00 7.274 0.007 302.00 328.00 3 9.5023e-01 1.3240e-02 9.2538e-02 -6.0000e+00 6.4800e-01 1.0880e+00 1.5915e-02 7.9443e-02 -6.0000e+00 7.0227e-01 -1.4189e+00 1.2873e-02 2.4399e-02 -6.0000e+00 4.1737e-01 5.9887e-01 6.3526e-03 3.3454e-02 -6.0000e+00 1.7676e-01 5.4359e-05 -3.8341e-03 1.8722e-04 4.6838e-04 -6.0000e+00 1.2923e-02 2.5072e-03 -1.1571e-04 12 9 8 11 8 0 21.77 21.16 0.16 0.00251 -0.02630 54 13 1 5 0 898.800 25.68 19.99 21.16 9.24 38.5 963.04 21977 80826 51138 78861 -167164 -1141 861 -36913 -40670 -9258 -42190 556 -7275 5099 50706 131552 58269 133748 83625 157261 57787 150983 188612 35805 -7292 24433 -34264 34773 -22077 -36987 26771 42270 74116 68622 46230 31602 24604 37337 36632 43660 54297 49677 46906 11656 45127 47351 54364 51804 53988 8287 62656 52495 78283 29064 44863 20524 18244 9888 30749 17199 24374 21953 34918 16844 30707 17074 20917 20544 15768 15724 15893 8654 5775 2224 -1001 -6571 10690 -7774 -1052 4211 -1153 -3434 203 -4973 -2117 -3643 -336 -2272 363 -408 -3717 -3638 -8651 -8267 -5311 -3171 -3482 -1349 1102 1569 423 -799 -6844 -2896 -2234 -3924 -4663 -200 -2630 -904 -1037 -1705 -1234 -506 -1338 -1473 375 1070 1091 3413 2112 2724 2501 3862 3445 2368 -515 2208 1648 1140 1422 639 -334 -88 673 -99 -1145 -360 118 -398 -871 -2415 551 1346 1156 1173 -20192 -26 16 -856 -871 -132 -828 9 -182 158 1297 1800 1837 2148 2238 1964 1787 1617 1357 937 -260 596 -1467 765 -959 -2118 1146 1835 2645 2571 1952 1504 1302 1866 2005 2389 2777 2778 2874 972 3087 3072 3783 3615 3886 1008 4851 4837 5848 3676 4745 2686 2357 1326 3269 2157 3097 3268 5255 3426 5642 3547 4277 4369 3895 3989 4199 2456 1593 582 -263 -1669 2279 -2007 -304 1397 -468 -1612 98 -2666 -1172 -2145 -199 -1392 214 -232 -2047 -1923 -4815 -5030 -3689 -2386 -3088 -1349 1148 1596 404 -690 -5824 -2432 -1988 -3719 -4823 -217 -3309 -1189 -1516 -2635 -1906 -756 -1951 -2129 553 1646 1768 5463 3314 4056 3624 5320 4976 3393 -760 3287 2859 2245 2895 1403 -789 -222 1781 -257 -3020 -952 324 -1028 -2118 -5608 SS 20250319T115012.5Z 9209.493200 245 1 48.42 2 80.71 98.73 80.40 225.22 0.00 1 0.00 1 0 17 4.901e-01 1.429e-02 8.150e-02 2.471e-03 7.053207e-01 1.388326e-03 8.213300e-03 -6.000000e+00 2.944370e-01 226.43 -2.00 3.52 -2.00 321.16 0.00e+00 7.329831e-03 6.371765e-04 2.612671e-03 -6.000000e+00 1.276944e-02 277.21 -2.00 20.00 -2.00 320.68 0.00e+00 5.890 0.004 302.00 328.00 3 1.0303e+00 4.5323e-03 7.0060e-02 -6.0000e+00 7.3035e-01 2.0048e-01 6.0684e-03 3.9059e-02 -6.0000e+00 7.9149e-01 -2.6075e-01 6.1265e-03 2.3914e-02 -6.0000e+00 4.7040e-01 1.0566e-01 2.9460e-03 1.0830e-02 -6.0000e+00 1.9924e-01 2.6055e-04 -1.0062e-03 7.2620e-05 1.5941e-04 -6.0000e+00 1.4563e-02 2.0738e-03 -1.0603e-04 12 8 8 10 0 0 25.65 21.18 0.11 0.00207 -0.00549 135 32 1 5 0 358.580 25.68 19.99 21.18 10.14 38.3 966.92 -148222 -180107 -96370 -181680 -275545 -174360 -105691 -165236 -86919 -148131 -119322 -109560 -36118 -109793 -3985 -54265 -13987 -26032 -16250 -30597 -14719 13388 6074 -31214 -25001 -21993 -24985 -34629 -11437 -45084 -253 -2526 13223 5349 1143 -5587 -1798 4030 3893 6790 10173 10946 11326 5008 5973 10464 13446 12928 6738 3236 8189 13182 9381 8002 6021 5295 5195 4751 3307 4610 2597 6640 5660 6141 6534 3645 2494 3220 3112 3704 1357 2149 534 1118 -364 -1193 -300 -1915 -1774 710 -1812 -946 -2395 -2900 -1446 -1451 -43 -77 729 533 -779 -737 -2429 -1839 -546 -470 -628 649 664 -408 -394 -1916 -2757 272 -287 -1753 -546 -704 -438 446 823 44 -139 -253 -464 -416 603 23 1103 923 304 161 1220 766 1541 797 -1246 291 1017 349 479 -565 -512 -272 408 -350 -444 524 575 -344 -217 -1105 -1571 -2683 -720 -2706 -9898 -2563 -840 -2628 -691 -2320 -1524 -1584 -331 -2477 -43 -1151 -222 -521 -313 -715 -294 203 105 -835 -657 -583 -686 -948 -289 -1699 -7 -89 458 204 44 -244 -86 216 252 492 780 889 968 466 569 988 1281 1314 712 389 1057 1789 1443 1348 1075 986 980 885 614 860 531 1469 1435 1719 1856 1054 755 1024 1040 1385 551 880 214 415 -124 -410 -101 -652 -707 326 -985 -577 -1590 -1911 -1008 -1065 -33 -59 543 378 -525 -514 -1728 -1317 -445 -443 -635 730 778 -468 -420 -2008 -2777 279 -294 -1910 -633 -886 -614 649 1301 72 -226 -397 -700 -619 916 37 1835 1552 500 255 1860 1125 2186 1181 -1887 448 1768 638 952 -1203 -1091 -616 978 -826 -1064 1256 1423 -812 -485 -2372 SS 20250319T120000.9Z 9209.500010 250 1 48.31 2 78.89 100.41 81.71 226.99 0.00 1 0.00 1 0 17 3.149e-01 8.464e-03 3.736e-02 1.313e-03 6.163006e-01 7.178115e-04 7.073642e-03 -6.000000e+00 1.892290e-01 226.43 -2.00 3.52 -2.00 320.56 0.00e+00 3.517138e-03 2.810318e-04 1.090690e-03 -6.000000e+00 8.206296e-03 277.21 -2.00 20.00 -2.00 320.04 0.00e+00 5.009 0.002 302.00 328.00 3 9.1690e-01 2.1878e-03 5.9506e-02 -6.0000e+00 4.6939e-01 6.2587e-02 2.7949e-03 3.2843e-02 -6.0000e+00 5.0867e-01 -5.6614e-02 2.7237e-03 1.8078e-02 -6.0000e+00 3.0231e-01 1.3854e-02 1.3575e-03 7.0116e-03 -6.0000e+00 1.2805e-01 7.4967e-04 -7.5615e-04 3.9138e-05 8.6165e-05 -6.0000e+00 9.3589e-03 1.7794e-03 -1.0470e-04 11 9 0 11 8 0 27.98 21.18 0.16 0.00178 -0.00390 245 59 1 5 0 197.150 25.68 19.99 21.18 10.82 38.6 969.81 -112646 -97759 -109223 -107751 -183622 -82460 -104969 -74391 -92047 -58131 -89617 -48030 -59316 -24654 -34911 -21172 -29037 -7061 -17507 -3858 -14968 -4127 -9015 -14781 -11229 -7466 -17759 -10015 -13787 -12929 -8632 346 1876 -250 -7990 -2354 -4288 1681 841 2936 1011 380 2360 1364 2620 3308 2156 2686 2526 678 3576 2498 3872 2514 2430 1248 1553 251 875 309 1330 1803 2505 3271 2378 -779 1023 -699 1547 1581 556 400 -88 -82 -237 -1994 -594 -2447 -939 -676 -1169 -811 -1878 -2075 -678 -318 493 268 1312 626 301 166 -1086 -393 699 216 -205 1114 386 -312 -342 -1690 -1973 419 244 -1389 -346 -698 -278 410 608 306 50 18 -411 -182 550 43 879 597 -84 -187 717 294 860 329 -1424 392 812 196 251 -655 -805 -331 449 -99 -412 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