File name: Pandora55s1_QueensNY_20220202_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T112827.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220202_L1_smca1c19d20211111p1-8.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: 20220202 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]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20220202T131821.8Z 8068.554419 78 1 8.62 2 78.44 124.32 91.54 110.37 0.00 1 0.00 1 0 25 4.600e-01 2.753e-02 2.177e-01 1.028e-02 6.719182e-01 5.647708e-03 7.739618e-03 -6.000000e+00 2.727065e-01 224.42 -2.00 3.51 -2.00 320.75 0.00e+00 8.070830e-03 2.300045e-03 8.274241e-04 -6.000000e+00 1.300136e-02 275.28 -2.00 20.00 -2.00 320.25 0.00e+00 4.828 0.002 302.00 328.00 3 2.5505e+00 1.7228e-02 5.9866e-02 -6.0000e+00 6.7494e-01 2.9005e-01 2.2071e-02 3.7621e-02 -6.0000e+00 7.3820e-01 -3.4238e-01 2.0846e-02 1.8775e-02 -6.0000e+00 4.3735e-01 1.4531e-01 1.0287e-02 9.6635e-03 -6.0000e+00 1.8266e-01 1.5300e-04 -4.4639e-03 3.0049e-04 9.8522e-05 -6.0000e+00 1.3926e-02 5.2883e-03 -4.8168e-04 12 9 9 12 1 1 99.80 22.68 0.45 0.00529 -0.02826 4 6 1 5 0 1687.690 25.58 19.99 22.68 8.28 29.9 1030.41 -139783 900000 900000 -190147 -63441 900000 -164641 -123048 900000 72484 -104693 -129217 -141252 -187350 900000 900000 -65138 14907 900000 150295 900000 -7470 37183 -19385 22973 -10770 900000 61620 -33448 4098 -2703 90202 -1103 -22453 34944 134337 10891 -15643 79093 29884 -4186 40614 -1906 2189 19461 30531 -597 33563 23279 39175 11606 17146 3896 31710 18327 16307 30661 11897 7912 11101 8023 13123 13738 -7339 15363 -5733 18756 2601 4862 1413 -1335 -2341 3720 -2258 3202 -67 -4524 10192 -6583 -2246 -3500 2268 3097 -3844 -4742 -669 -3989 -3770 -1597 1031 394 -3430 721 67 1754 -901 -1246 -1703 -1533 -1790 -2137 123 -82 1891 324 -1613 -1843 -1129 1075 1510 20 -2357 -419 -1195 -176 -610 1513 2326 309 198 -133 611 755 4178 450 -233 195 2592 -598 571 1563 412 732 826 1465 -581 521 98 -1394 -882 -29 -362 -669 -1402 -2805 900000 900000 -7718 -727 900000 -4706 -2544 900000 726 -2173 -3748 -5630 -14688 900000 900000 -2836 338 900000 1505 900000 -241 792 -729 609 -405 900000 1175 -1568 143 -115 1912 -64 -1732 1595 2357 629 -1302 3200 2236 -485 3367 -248 285 2208 3197 -85 3619 2873 4419 1824 2819 792 5392 3743 3512 5971 2752 1868 2492 1871 3087 3571 -2577 4771 -2215 5752 922 1777 590 -631 -1185 1819 -1131 1438 -29 -1853 3545 -2790 -1029 -1875 1308 1964 -2762 -3607 -517 -3318 -3248 -1374 861 319 -2727 526 49 1308 -759 -1184 -1816 -1790 -2205 -2632 141 -87 1886 330 -1740 -2085 -1324 1313 1975 29 -3676 -669 -1921 -274 -923 2201 3376 470 312 -214 975 1175 6188 667 -339 275 3535 -862 884 2608 738 1369 1599 2936 -1228 1130 217 -3129 -1968 -62 -759 -1345 -2775 SS 20220202T132325.4Z 8068.557933 81 1 27.47 2 77.65 125.26 90.66 111.16 0.00 1 0.00 1 0 25 5.054e-01 1.875e-02 1.826e-01 4.266e-03 6.355013e-01 2.281613e-03 7.293015e-03 -6.000000e+00 2.969596e-01 224.42 -2.00 3.51 -2.00 320.45 0.00e+00 8.453216e-03 8.515399e-04 4.900486e-04 -6.000000e+00 1.321842e-02 275.28 -2.00 20.00 -2.00 319.94 0.00e+00 4.542 0.002 302.00 328.00 3 2.5129e+00 6.7662e-03 5.6129e-02 -6.0000e+00 7.3446e-01 2.1962e-01 8.4764e-03 3.4841e-02 -6.0000e+00 8.0094e-01 -2.3451e-01 7.9033e-03 1.8396e-02 -6.0000e+00 4.7749e-01 9.6477e-02 3.9751e-03 1.0542e-02 -6.0000e+00 2.0081e-01 2.1833e-04 -2.2550e-03 1.2336e-04 1.0261e-04 -6.0000e+00 1.5150e-02 3.4272e-03 -1.3540e-04 12 9 9 12 1 1 99.88 22.68 0.26 0.00343 -0.01352 17 6 1 5 0 1516.350 25.58 19.99 22.68 8.59 30.0 1030.70 -150267 900000 900000 -182342 122719 236926 -102626 -60828 -52753 -61677 -120631 -80883 -118788 -144798 900000 -20356 -68997 900000 196666 71724 95166 -16351 19293 -42496 -12644 -15733 242904 -17952 -36791 -33485 10071 14725 3634 -17733 4608 85419 -2344 -8500 35156 21749 -2686 8393 -2008 3627 5824 32161 1130 20056 17436 17410 5474 4245 1582 15028 16751 3321 11030 4547 6033 2358 2929 9155 4762 -2778 7875 -3598 4678 -607 4208 2211 -1622 -1740 2433 -2631 4248 393 -1748 5132 -1691 -2000 -2883 1562 -1080 -1356 -2972 -1397 -2710 -2160 -1975 -638 -492 -1155 598 536 -367 -434 -1462 -101 -265 -1427 -198 -557 -176 1697 176 -872 -1016 -450 120 879 229 -1533 521 -154 -622 356 1052 1840 -168 -20 -928 354 822 1588 571 -171 412 1912 249 -388 988 453 518 700 529 -347 154 86 -408 -919 -510 -469 -436 -194 -3623 900000 900000 -7582 510 985 -1847 -794 -693 -930 -3307 -1695 -4322 -8603 900000 -579 -3511 900000 995 1251 1366 -665 566 -2294 -543 -722 1010 -848 -2083 -1939 446 740 235 -1520 324 2796 -179 -771 2516 2055 -357 1099 -305 545 877 3917 187 2884 2663 2811 1059 912 380 3445 4006 928 2955 1296 1670 665 831 2604 1557 -1078 3014 -1556 1854 -251 1752 1032 -861 -982 1346 -1485 2135 189 -791 2122 -775 -1024 -1705 1001 -777 -1042 -2430 -1180 -2426 -1992 -1845 -585 -436 -978 475 419 -301 -391 -1479 -113 -321 -1826 -250 -671 -196 1785 190 -985 -1200 -552 154 1201 338 -2434 841 -250 -986 541 1556 2726 -259 -32 -1523 574 1298 2436 860 -252 590 2675 364 -611 1665 810 965 1345 1058 -724 331 188 -897 -2022 -1095 -973 -870 -380 SS 20220202T132857.0Z 8068.561771 84 1 5.77 2 76.80 126.30 89.71 112.02 0.00 1 0.00 1 0 17 3.024e-01 1.773e-02 2.310e-01 1.022e-02 5.974654e-01 5.474751e-03 6.826683e-03 -6.000000e+00 1.787172e-01 224.42 -2.00 3.51 -2.00 320.22 0.00e+00 5.824165e-03 1.937874e-03 1.091734e-03 -6.000000e+00 8.140666e-03 275.28 -2.00 20.00 -2.00 319.70 0.00e+00 4.270 0.001 302.00 328.00 3 2.7380e+00 1.5977e-02 5.2995e-02 -6.0000e+00 4.4250e-01 1.1028e-01 1.9792e-02 3.3463e-02 -6.0000e+00 4.8305e-01 -9.6774e-02 1.8426e-02 1.6264e-02 -6.0000e+00 2.8599e-01 3.4316e-02 9.3743e-03 8.3067e-03 -6.0000e+00 1.2002e-01 2.4254e-04 -1.8715e-03 3.0303e-04 7.4218e-05 -6.0000e+00 9.1132e-03 2.8331e-03 -1.6046e-04 12 9 9 12 1 1 999.00 22.68 0.48 0.00283 -0.01123 2 5 1 5 0 1863.750 25.58 20.02 22.68 8.99 29.9 1031.04 -96473 900000 900000 -117692 33229 900000 -85663 -107411 900000 21734 29466 -71762 -83638 -151419 900000 -51121 -81600 -17960 900000 66878 108435 27657 -7987 37765 4291 16879 -5518 43234 -43188 -25213 5977 14782 -12157 -17508 1931 54434 -12837 -14290 37115 1589 -4021 7766 -5765 2190 -606 16502 488 18133 15744 18217 7685 1131 5760 7599 8219 28 8647 3617 12689 -1143 1470 10142 3233 -2456 4435 -5394 -1286 -1433 2899 2214 -554 -1140 -56 -1624 -1339 -3529 3101 3413 -1201 128 -1423 585 581 -642 -1840 -2655 -2311 -1111 -393 -549 -350 -214 1973 -1044 119 278 -1358 1273 -1171 -346 -127 -1473 644 2615 674 -418 -461 -1564 1660 506 529 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