File name: Pandora55s1_QueensNY_20230516_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113536.9Z 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_20230516_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: 20230516 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 20230516T122332.9Z 8536.516353 155 1 50.93 2 60.46 89.51 45.28 135.40 0.00 1 0.00 1 0 33 8.157e-01 7.516e-02 9.044e-02 3.374e-03 4.147193e-01 1.768688e-03 6.245956e-03 -6.000000e+00 4.920677e-01 231.17 -2.00 3.51 -2.00 319.14 0.00e+00 5.065570e-02 4.382801e-04 2.579243e-03 -6.000000e+00 2.176671e-02 283.75 -2.00 20.00 -2.00 318.47 0.00e+00 2.019 0.000 302.00 328.00 3 5.3707e+00 4.9235e-03 3.4422e-02 -6.0000e+00 1.2326e+00 4.1082e-01 5.5156e-03 5.3071e-02 -6.0000e+00 1.3338e+00 -7.5621e-01 3.4100e-03 2.3083e-02 -6.0000e+00 7.9068e-01 3.8026e-01 1.8067e-03 3.6796e-02 -6.0000e+00 3.2904e-01 1.5250e-04 -1.5499e-03 9.6997e-05 4.6103e-04 -6.0000e+00 2.4777e-02 2.1901e-02 0.0000e+00 12 8 8 10 0 0 50.61 22.67 0.41 0.02190 0.01025 13 2 1 5 0 3917.250 26.00 19.97 22.67 23.70 34.8 1084.65 150107 171721 900000 160446 402056 381633 211396 900000 198466 117523 50222 35593 67831 116645 255764 151566 124185 -86714 251788 211293 205156 139765 125775 57699 59167 28709 136907 37873 25275 48642 71162 90360 83478 62302 78526 106845 54016 38474 45099 36996 9976 16682 2367 14168 21233 42790 29594 48076 43051 45262 34836 28122 22608 31446 24157 7035 6304 -7499 -4877 -6222 -4409 10617 8400 5818 13749 5468 15697 6367 6301 2838 -3551 -1970 -3486 -9444 -4144 -10282 -5629 -2692 -5663 -4604 -2883 894 -2941 -5162 -8391 -7269 -9548 -7324 -7461 -4538 -4163 -4326 -3998 -4656 -6935 -5420 -4863 -1918 -165 -358 1970 1101 967 2252 383 -1650 -2213 -1766 82 2379 1635 -446 862 103 -1036 -393 520 2596 1696 2362 770 2840 4527 4800 3188 2234 3045 3641 2943 1550 3931 3734 3376 2109 1212 -733 -756 -1364 -2027 -2613 -2169 -2709 -2798 -3345 7269 8232 900000 8944 1989 1867 4178 900000 3038 3306 2381 1989 3541 5405 4332 8504 10298 -51084 7283 9097 9100 10567 9402 6819 5765 3254 5294 3718 2992 5270 7500 9646 10920 10452 10986 10680 8455 7092 8263 7640 2701 4393 743 4293 6467 11562 9494 13591 12998 13625 11743 10458 9173 12061 9835 3195 2762 -3529 -2197 -2860 -2119 4917 4431 3449 8100 3463 8790 3691 3650 1792 -2529 -1445 -2602 -7191 -2873 -6998 -3435 -1539 -3420 -3039 -2122 705 -2557 -4760 -8193 -7331 -10217 -7989 -8311 -4950 -4418 -4373 -3784 -4238 -6484 -5408 -5340 -2286 -211 -480 2588 1389 1146 2541 444 -2017 -2837 -2340 113 3382 2473 -713 1389 165 -1606 -582 746 3704 2517 3643 1241 4547 7072 7336 4787 3282 4324 5041 4162 2333 6197 6155 5735 3676 2182 -1376 -1457 -2678 -4024 -5215 -4246 -5164 -5168 -6087 SS 20230516T122919.4Z 8536.520364 158 1 50.86 2 59.37 90.45 44.52 137.08 0.00 1 0.00 1 0 25 2.724e-01 1.453e-02 9.121e-02 2.917e-03 4.386965e-01 1.542971e-03 5.101307e-03 -6.000000e+00 1.643574e-01 231.17 -2.00 3.51 -2.00 319.07 0.00e+00 2.225774e-03 3.805673e-04 3.990475e-04 -6.000000e+00 7.269073e-03 283.75 -2.00 20.00 -2.00 318.35 0.00e+00 1.955 0.000 302.00 328.00 3 5.3751e+00 4.2964e-03 3.0703e-02 -6.0000e+00 4.1169e-01 -6.0207e-02 4.9810e-03 2.3449e-02 -6.0000e+00 4.4547e-01 -7.3638e-03 3.6292e-03 1.1328e-02 -6.0000e+00 2.6408e-01 -3.1228e-04 1.8808e-03 4.0273e-03 -6.0000e+00 1.0992e-01 1.9434e-04 -2.7977e-04 8.9659e-05 4.2027e-05 -6.0000e+00 8.2737e-03 2.0569e-02 0.0000e+00 12 9 8 11 32 0 27.77 22.67 0.51 0.02057 0.01847 15 3 1 5 0 3389.800 26.00 19.97 22.67 23.96 34.8 1085.63 -73361 -51811 900000 -47143 45292 274777 96 900000 37471 4980 -30373 -35300 -32364 -156 -21333 2193 -22146 7537 -14695 39764 44399 10685 16233 -19787 789 -3161 -350 74 -12401 -7407 -3275 15270 1184 -9647 -2102 28136 -5183 -5969 -7147 4648 -4782 2394 -4912 -3898 -810 8710 -5071 8059 3817 6382 1022 -787 -2730 9293 5449 2009 5995 1231 5098 107 -618 4778 1614 -3204 -888 -3933 4105 -608 2639 -733 -1874 732 -906 -1799 2495 -947 1574 4750 106 -1172 -1948 924 -905 -570 -2558 -616 -2023 -894 -1452 -413 -76 -169 1123 1357 784 -738 -453 600 -174 -1276 -341 -674 -292 2002 617 -155 -695 -1393 254 1760 922 -1229 549 -49 -540 125 557 1549 -332 -239 -1310 -529 692 1172 -286 -305 171 584 144 158 890 736 1014 572 9 -81 390 165 -14 -1081 -395 -890 -86 -81 -3127 -2064 900000 -1902 719 782 2 900000 790 153 -1360 -1763 -1802 -8 -1530 145 -2025 564 -1440 2469 2726 915 1340 -2404 85 -369 -41 8 -1538 -885 -404 1779 176 -1687 -344 3420 -892 -1167 -1669 1137 -1425 721 -1646 -1332 -272 2738 -1801 2569 1273 2134 376 -315 -1195 3902 2477 970 2878 620 2469 53 -314 2429 906 -2015 -574 -2600 2462 -370 1607 -496 -1393 564 -720 -1423 1833 -670 1015 2848 67 -801 -1488 758 -811 -536 -2551 -634 -2195 -996 -1649 -462 -82 -174 1088 1267 746 -755 -504 720 -224 -1716 -451 -853 -349 2285 726 -192 -894 -1864 349 2511 1394 -1960 879 -78 -831 184 793 2203 -491 -367 -2080 -842 1079 1786 -429 -444 241 807 203 234 1389 1198 1693 980 15 -149 736 318 -26 -2113 -757 -1669 -156 -146 SS 20230516T123450.7Z 8536.524198 161 1 51.60 2 58.32 91.36 43.81 138.72 0.00 1 0.00 1 0 25 1.167e-01 1.261e-02 2.316e-02 2.573e-03 4.210298e-01 1.360231e-03 4.906477e-03 -6.000000e+00 7.040298e-02 231.18 -2.00 3.51 -2.00 318.81 0.00e+00 1.288818e-03 3.065236e-04 3.646439e-04 -6.000000e+00 3.113505e-03 283.75 -2.00 20.00 -2.00 318.07 0.00e+00 1.897 0.000 302.00 328.00 3 5.2527e+00 3.7490e-03 2.9512e-02 -6.0000e+00 1.7635e-01 -4.8597e-02 4.3032e-03 2.2226e-02 -6.0000e+00 1.9081e-01 -8.9841e-03 3.0170e-03 1.0755e-02 -6.0000e+00 1.1312e-01 -3.2824e-04 1.5646e-03 3.3306e-03 -6.0000e+00 4.7089e-02 2.3725e-04 -3.4722e-04 7.9117e-05 3.6835e-05 -6.0000e+00 3.5437e-03 2.0054e-02 0.0000e+00 12 9 8 11 32 0 -89.57 22.67 0.00 0.02005 0.01744 17 3 1 5 0 3034.590 26.00 19.97 22.67 24.23 34.8 1087.24 -12149 -37688 900000 -42143 42961 -59905 26998 900000 20006 9161 -14596 -25662 -24166 8209 54745 6948 -17949 -4496 -11989 31529 30594 7788 10996 -19911 6024 -1742 -5035 -422 -7988 -6981 3199 8657 4132 -8661 -359 -3846 -4016 -4001 3737 4681 -5104 4337 -4459 -1482 -237 -2332 -2899 6238 -1062 4184 202 -614 -1248 7031 5682 1324 5480 2285 -1020 1320 144 4487 2589 -1662 1235 -3111 3692 -159 462 1326 -1345 934 -1551 -1837 -425 -995 -372 3694 560 -1265 -1878 943 -1333 -842 -2379 -1047 -2040 -192 -1360 125 349 355 31 1734 1554 766 64 372 -128 -1052 -123 -702 135 1492 675 -391 -502 -793 334 -293 314 -1026 277 -94 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