File name: Pandora55s1_QueensNY_20210118_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T175226.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210118_L1_smca1c11d20210101p1-8.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: 20210118 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 20210118T130816.2Z 7688.547410 68 1 50.37 2 82.31 125.53 117.87 69.33 0.00 1 0.00 1 0 25 7.155e-01 2.778e-02 2.267e-01 4.829e-03 1.077539e+00 2.891284e-03 1.218511e-02 -6.000000e+00 4.328086e-01 223.87 -2.00 3.51 -2.00 322.11 0.00e+00 3.578571e-03 1.606546e-03 1.070182e-02 -6.000000e+00 2.053872e-02 275.32 -2.00 20.00 -2.00 321.70 0.00e+00 6.955 0.006 302.00 328.00 3 3.9332e-01 1.0636e-02 1.0935e-01 -6.0000e+00 1.0691e+00 1.1474e+00 1.5330e-02 1.0134e-01 -6.0000e+00 1.1677e+00 -1.4785e+00 1.5323e-02 4.2359e-02 -6.0000e+00 6.9470e-01 5.8944e-01 7.0155e-03 1.0861e-02 -6.0000e+00 2.9375e-01 1.0623e-04 -2.8020e-03 1.2566e-04 2.2425e-04 -6.0000e+00 2.2819e-02 -3.1360e-03 -2.9429e-05 12 8 8 10 0 0 53.37 22.80 0.39 -0.00314 -0.02419 79 15 1 5 0 637.430 25.68 19.98 22.80 9.13 26.9 1044.71 -146769 900000 900000 -212243 900000 407650 -89949 900000 -16745 -92389 -197717 -67336 -182221 -42736 900000 -10037 -99519 13902 900000 900000 900000 222188 57173 -3608 -9965 -35837 900000 -20630 -30104 -104869 -21279 84301 31087 3943 109398 900000 1781 265 900000 294086 49003 60644 -7166 18369 74457 900000 7225 900000 106211 85756 25885 46212 24602 136517 133398 62664 109285 71475 85032 49116 40452 76174 33988 2033 48762 13520 60895 11138 38240 30460 5975 22223 31586 4836 23221 6916 22141 32076 -4574 5210 4408 16486 5840 3653 -1096 3805 -1895 -2099 -5537 2449 1666 -1651 2197 -1766 -5887 174 -6837 -4489 -3688 -4935 -1630 -2281 16 1126 -310 -1539 -2090 -1169 -1155 641 -1321 -3668 -1430 -1249 -1465 316 740 1506 -232 430 -1591 1523 2638 3630 698 1325 546 1829 1127 -355 545 1096 2013 1107 743 -386 742 597 204 -2695 99 -312 -712 -1336 -2947 900000 900000 -9187 900000 1915 -898 900000 -87 -1038 -6336 -674 -6696 -534 900000 -143 -3827 198 900000 900000 900000 1044 509 -59 -182 -858 900000 -404 -621 -4584 -489 869 645 117 1193 900000 51 8 900000 1382 1507 1809 -422 867 2038 900000 375 900000 2366 2522 1482 2450 1779 3773 4094 3912 4564 4233 4287 3260 2803 3860 2830 261 4581 1903 5658 1706 4912 4702 1291 4434 5856 1103 4099 1270 3191 4109 -890 1084 1115 4395 1972 1388 -461 1613 -881 -1008 -2775 1127 742 -720 891 -757 -2854 93 -4592 -3461 -3216 -4758 -1552 -2081 13 820 -222 -1150 -1656 -970 -1041 635 -1526 -4876 -2028 -1847 -2178 459 1052 2142 -346 660 -2508 2290 3743 4899 938 1735 704 2318 1519 -545 952 2123 4190 2471 1758 -973 1921 1577 540 -7215 253 -750 -1600 -2898 SS 20210118T132012.3Z 7688.555698 71 1 50.63 2 80.49 127.68 115.79 71.55 0.00 1 0.00 1 0 25 8.136e-01 1.411e-02 1.513e-01 2.161e-03 9.340051e-01 1.223258e-03 1.037976e-02 -6.000000e+00 4.805385e-01 223.87 -2.00 3.51 -2.00 321.55 0.00e+00 7.434174e-03 6.267469e-04 4.965646e-03 -6.000000e+00 2.193313e-02 275.32 -2.00 20.00 -2.00 321.11 0.00e+00 5.770 0.003 302.00 328.00 3 4.0411e-01 4.1795e-03 8.2141e-02 -6.0000e+00 1.1876e+00 3.3469e-01 6.4437e-03 6.7135e-02 -6.0000e+00 1.2956e+00 -3.8195e-01 7.3144e-03 2.9202e-02 -6.0000e+00 7.7081e-01 1.4786e-01 3.3783e-03 1.2518e-02 -6.0000e+00 3.2510e-01 4.1296e-04 -1.8900e-03 5.6987e-05 1.2653e-04 -6.0000e+00 2.4393e-02 -3.5414e-03 7.5379e-08 12 8 8 10 0 0 55.97 22.80 0.26 -0.00354 -0.01774 173 33 1 5 0 290.890 25.68 19.99 22.80 10.06 26.9 1050.14 -334776 900000 900000 -303205 -211121 900000 -298220 213539 -233725 -205242 -296706 -208121 -235181 -175312 900000 -130629 -143986 -178498 900000 900000 37830 -42299 -50612 -59887 -96040 -66285 111497 -31436 -90119 -91730 -70074 16941 -22187 -31283 29811 156990 -9189 -24409 75909 19886 16797 -2111 -11830 -8990 10721 52318 -4586 29257 18502 26200 -1164 18001 425 26455 20807 14391 16701 8245 11828 4053 7958 10291 8397 -2586 11375 2251 12236 1783 9928 6700 152 4094 4355 682 1088 592 2800 4323 -1983 1156 995 2366 -1033 -598 -1477 -1421 -1049 -1261 -1028 -626 936 133 940 216 -1339 288 -1396 -207 -1257 -1365 -964 -242 -116 1513 -215 -1985 -1205 -969 -197 -311 -229 -1340 -322 -288 -50 473 1022 1025 193 -88 -922 302 532 692 8 434 371 1625 843 -22 486 540 842 268 511 -353 14 184 -248 -1246 -150 -135 -123 -11 -3927 900000 900000 -3962 -1091 900000 -3513 450 -1797 -1305 -4961 -1727 -3283 -1894 900000 -1621 -2466 -4887 900000 900000 165 -405 -533 -733 -1792 -990 308 -354 -1806 -2033 -1527 206 -484 -848 477 729 -216 -743 1074 573 579 -97 -636 -496 507 1737 -269 1332 1002 1448 -92 1355 42 2301 2070 1610 1912 1033 1419 506 952 1263 1178 -461 2027 467 2384 394 2186 1703 46 1289 1405 221 327 163 695 1032 -539 353 362 996 -506 -319 -843 -852 -655 -819 -678 -408 580 79 535 124 -833 201 -1140 -192 -1317 -1541 -1095 -261 -115 1360 -193 -1864 -1179 -993 -215 -371 -303 -1969 -500 -459 -80 728 1536 1549 302 -142 -1523 485 821 1030 12 619 515 2213 1208 -34 856 1036 1719 576 1148 -834 34 454 -616 -3105 -362 -310 -267 -23 SS 20210118T133848.4Z 7688.568616 84 1 50.90 2 77.77 131.14 112.49 74.87 0.00 1 0.00 1 0 25 4.262e-01 7.638e-03 4.738e-02 9.700e-04 7.618337e-01 5.212535e-04 8.660075e-03 -6.000000e+00 2.491779e-01 223.87 -2.00 3.51 -2.00 320.71 0.00e+00 3.324713e-03 2.150951e-04 1.930540e-03 -6.000000e+00 1.097938e-02 275.32 -2.00 20.00 -2.00 320.23 0.00e+00 4.583 0.002 302.00 328.00 3 3.0206e-01 1.5859e-03 6.1267e-02 -6.0000e+00 6.1458e-01 1.1296e-01 2.1437e-03 4.2781e-02 -6.0000e+00 6.6845e-01 -8.0792e-02 2.2836e-03 2.1113e-02 -6.0000e+00 3.9830e-01 2.0137e-02 1.1247e-03 7.8529e-03 -6.0000e+00 1.6826e-01 1.7107e-03 -1.1589e-03 2.6154e-05 8.1923e-05 -6.0000e+00 1.2704e-02 -4.5201e-03 2.5700e-05 11 8 0 10 0 0 14.96 22.80 0.23 -0.00452 -0.01323 374 71 1 5 0 134.630 25.68 20.00 22.80 11.15 27.3 1055.65 -151321 -171050 900000 -185597 -118543 -126197 -160266 -83075 -132276 -89492 -174502 -60664 -138602 -59904 -22122 -46004 -62367 -709 -3120 -14974 -6630 -34041 -20721 -41647 -11944 -34898 -1138 -29988 -25484 -31823 -22559 1206 -11954 -5469 -9687 17345 -9257 -3765 1152 501 -2567 -1995 -3956 -3423 2398 3226 645 838 3877 1503 2251 1472 1526 4337 3530 2697 1841 1126 541 1135 975 3443 1279 697 1314 999 2900 1253 2899 1595 477 313 76 -894 -102 -467 718 1143 822 672 -280 249 -1766 -1021 -1735 -1009 -1353 -825 -692 -531 358 595 1188 1362 1050 805 754 473 -379 -670 -242 -332 238 996 -282 -1221 -1034 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