File name: Pandora55s1_QueensNY_20220111_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111222.6Z 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_20220111_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: 20220111 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 20220111T131321.9Z 8046.550948 128 1 49.82 2 82.15 127.77 124.37 18.93 0.00 1 0.00 1 0 25 1.075e+00 3.038e-02 3.211e-01 5.212e-03 1.056922e+00 3.207959e-03 1.255129e-02 -6.000000e+00 6.680230e-01 223.64 -2.00 3.51 -2.00 322.17 0.00e+00 1.765658e-03 1.838001e-03 1.395754e-02 -6.000000e+00 3.506374e-02 275.60 -2.00 20.00 -2.00 321.76 0.00e+00 6.834 0.006 302.00 328.00 3 6.1543e-01 1.2027e-02 1.1711e-01 -6.0000e+00 1.6608e+00 1.2027e+00 1.7243e-02 1.1758e-01 -6.0000e+00 1.8305e+00 -1.6826e+00 1.6577e-02 5.2439e-02 -6.0000e+00 1.0647e+00 6.8889e-01 7.5688e-03 1.0840e-02 -6.0000e+00 4.4030e-01 1.0057e-04 -3.8223e-03 1.4358e-04 3.0890e-04 -6.0000e+00 3.4718e-02 3.9734e-03 -5.5445e-05 12 8 8 10 0 0 97.91 22.71 0.45 0.00397 -0.02475 66 12 1 5 0 754.690 25.58 19.99 22.71 -3.36 28.2 1029.61 75315 900000 900000 -138373 900000 900000 900000 900000 900000 270495 -165899 900000 -113880 -153940 900000 420895 -37730 900000 900000 900000 900000 167255 900000 -39226 110896 16827 900000 158761 170859 -56649 179375 900000 170028 7086 900000 900000 21802 48786 220906 900000 59559 226406 30644 170280 92873 900000 45460 639215 900000 211838 103853 55939 63425 168640 283417 68824 157777 100034 143615 68228 44954 160992 41934 29461 59965 22454 49725 24202 32557 32800 10639 23318 39062 15250 36411 15006 37140 30932 11471 7901 -2853 13947 7764 6651 -1880 2321 -4355 2832 -3264 2291 -2362 -570 -345 -246 -3825 516 -7418 -5358 -2204 -6693 -2030 -3400 710 1036 -116 -2792 -2505 -2668 -1397 1899 -2653 -4778 -1896 -1673 -1791 372 1158 2271 -453 -188 -420 954 2799 4410 1619 1465 2084 2367 867 -374 618 1334 1442 1512 224 72 525 894 -361 -903 -800 -963 -761 -1798 397 900000 900000 -5869 900000 900000 900000 900000 900000 1369 -7223 900000 -3946 -9772 900000 2130 -1283 900000 900000 900000 900000 847 900000 -1295 888 340 900000 804 865 -2084 908 900000 1154 251 900000 900000 617 1162 1143 900000 1941 1565 1448 2101 2367 900000 1796 3235 900000 1971 3033 2872 3357 3561 2093 4196 4232 4607 4179 3809 2997 3685 3288 2963 5070 2867 5017 3219 4330 4879 2160 4478 6525 3027 5409 2428 4455 3864 1876 1567 -750 3695 2484 2349 -762 951 -1978 1242 -1530 1001 -1030 -233 -136 -100 -1759 266 -4841 -4019 -1828 -6248 -1838 -2933 534 713 -79 -2037 -1925 -2174 -1224 1823 -3029 -6243 -2614 -2390 -2569 516 1578 3101 -654 -281 -633 1388 3826 5709 2090 1857 2574 2906 1152 -569 1063 2531 2952 3282 520 175 1326 2286 -930 -2309 -1968 -2238 -1648 -3784 SS 20220111T132607.1Z 8046.559804 131 1 49.16 2 80.27 130.08 123.51 22.38 0.00 1 0.00 1 0 25 8.240e-01 1.596e-02 1.837e-01 2.566e-03 9.240968e-01 1.460853e-03 1.035991e-02 -6.000000e+00 4.869668e-01 223.64 -2.00 3.51 -2.00 321.60 0.00e+00 6.750876e-03 7.627067e-04 5.585393e-03 -6.000000e+00 2.279375e-02 275.59 -2.00 20.00 -2.00 321.16 0.00e+00 5.652 0.003 302.00 328.00 3 7.1466e-01 5.0318e-03 8.1664e-02 -6.0000e+00 1.2041e+00 3.1217e-01 7.8178e-03 6.8125e-02 -6.0000e+00 1.3170e+00 -3.9756e-01 8.8519e-03 2.9865e-02 -6.0000e+00 7.8114e-01 1.5951e-01 4.0683e-03 1.0389e-02 -6.0000e+00 3.2670e-01 3.4927e-04 -2.6561e-03 6.7713e-05 1.2864e-04 -6.0000e+00 2.5207e-02 3.6597e-03 -4.7290e-05 12 8 8 10 0 0 99.27 22.71 0.29 0.00366 -0.01630 134 25 1 5 0 366.780 25.58 19.99 22.71 -3.19 28.4 1030.18 -294522 900000 900000 -321704 -54217 -181218 -233344 900000 -169146 -198725 -314491 -123504 -227361 -273806 900000 -58093 -110249 -112664 900000 900000 900000 -28570 -5654 -115232 -18196 -60705 900000 -21443 -78519 -92179 -16315 50878 -12047 -33475 7144 452489 -26180 -13367 53878 37834 10081 17241 -3242 11070 11747 56732 -1138 33074 24339 32970 8631 13768 7519 31545 28116 13897 17153 15522 16205 8385 9167 16424 10480 2774 12398 1703 9096 2826 6978 5411 1382 3004 4830 219 3142 1215 2557 7512 1359 869 -1625 3638 -1 -557 -2745 -1377 -2299 -1593 -1963 -318 -8 -467 761 726 -486 69 -1435 -165 -896 -1597 -1011 -586 473 1041 -450 -1613 -1590 -1484 -473 10 -368 -1374 -98 -332 -44 772 1058 1233 348 -449 -779 137 368 978 389 526 715 1755 856 -61 393 382 898 672 364 -684 -135 32 -447 -564 -117 -368 60 -258 -2706 900000 900000 -5377 -135 -718 -1603 900000 -759 -1300 -6825 -503 -3305 -8431 900000 -389 -1464 -1760 900000 900000 900000 -247 -40 -2483 -168 -892 900000 -225 -1456 -2137 -226 469 -246 -938 141 1131 -729 -377 967 949 376 666 -162 508 551 1806 -65 1447 1248 1720 628 1084 704 2603 2596 1547 1930 1783 1818 986 1067 1898 1446 472 2171 349 1778 608 1564 1384 408 940 1510 69 894 319 615 1707 356 266 -606 1506 -1 -293 -1557 -812 -1428 -1018 -1276 -201 -5 -272 422 409 -299 48 -1173 -153 -932 -1780 -1125 -614 449 914 -398 -1497 -1548 -1514 -514 11 -490 -2023 -152 -523 -68 1167 1566 1843 539 -723 -1269 217 562 1436 559 737 979 2368 1225 -97 698 736 1828 1440 820 -1619 -328 80 -1108 -1391 -279 -838 129 -541 SS 20220111T133348.7Z 8046.565147 136 1 49.00 2 79.17 131.51 122.93 24.41 0.00 1 0.00 1 0 25 6.947e-01 1.067e-02 1.818e-01 1.728e-03 8.506069e-01 9.476165e-04 9.638098e-03 -6.000000e+00 4.069723e-01 223.64 -2.00 3.51 -2.00 321.25 0.00e+00 5.681198e-03 4.544402e-04 4.146104e-03 -6.000000e+00 1.792159e-02 275.59 -2.00 20.00 -2.00 320.78 0.00e+00 5.126 0.002 302.00 328.00 3 6.0670e-01 3.0890e-03 7.1812e-02 -6.0000e+00 1.0045e+00 1.4466e-01 4.5671e-03 5.6024e-02 -6.0000e+00 1.0950e+00 -1.4906e-01 5.1460e-03 2.5234e-02 -6.0000e+00 6.4964e-01 5.0828e-02 2.4304e-03 9.3289e-03 -6.0000e+00 2.7219e-01 6.9900e-04 -2.6194e-03 4.5383e-05 1.0399e-04 -6.0000e+00 2.1069e-02 4.2952e-03 -1.0574e-04 12 8 8 10 0 0 54.60 22.71 0.24 0.00430 -0.01539 187 35 1 5 0 261.980 25.58 20.01 22.71 -2.64 28.5 1030.42 -253043 -117157 900000 -295024 -166053 -182053 -213543 900000 -205643 -160777 -272561 -126728 -191552 -212788 177560 -71101 -109005 -58407 103957 69474 17988 -51064 -8189 -86877 -38639 -54405 205790 -38704 -34371 -72095 -29978 5956 -13802 -24941 -7156 59516 -22598 -11445 7208 3803 -3266 2561 -5143 -3300 5947 11112 -1774 7685 11495 10177 8076 8053 3956 11971 10049 3820 3771 4795 3151 1477 3527 7951 3955 969 4227 513 4546 1517 3709 2553 147 513 1590 -516 196 -147 1502 3008 288 707 -241 1477 -965 -1116 -2072 -1287 -1561 -1249 -899 -548 -255 266 927 999 873 575 5 366 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