File name: Pandora75s1_EssexMD_20250826_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250827T051352.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250826_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250826 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250826T110525.9Z 9369.462105 59 1 47.12 2 83.97 81.70 120.79 71.71 0.00 1 0.00 1 0 25 7.293e-01 3.521e-02 3.046e-01 1.241e-02 8.543671e-01 7.261439e-03 1.016101e-02 -6.000000e+00 4.427001e-01 230.88 -2.00 3.48 -2.00 322.23 0.00e+00 8.307871e-03 4.554708e-03 1.263174e-02 -6.000000e+00 2.110885e-02 290.43 -2.00 20.00 -2.00 321.70 0.00e+00 8.490 0.011 302.00 328.00 3 8.4486e-01 3.1212e-02 1.1758e-01 -6.0000e+00 1.1040e+00 1.4295e+00 3.6715e-02 8.9382e-02 -6.0000e+00 1.1967e+00 -2.0247e+00 1.8830e-02 2.6100e-02 -6.0000e+00 7.1478e-01 8.1873e-01 9.8738e-03 8.4479e-03 -6.0000e+00 3.0059e-01 2.0997e-05 2.8905e-04 3.7429e-04 2.4225e-04 -6.0000e+00 2.3344e-02 1.3005e-02 -7.7695e-05 12 9 9 12 1 1 44.84 23.42 1.45 0.01300 0.01518 30 6 1 5 0 1519.860 26.21 20.00 23.42 23.80 7.1 987.94 -58899 87542 900000 218976 147174 -20753 321998 36147 -14257 75261 76219 136097 900000 900000 900000 39517 58592 100412 91864 54317 900000 900000 118665 109630 23949 57943 43630 68954 23951 900000 75432 -21101 166076 35909 47944 900000 207997 62368 900000 295857 41503 332617 900000 82076 42660 69784 89066 24262 68839 900000 101068 83233 76794 109135 74671 123172 1448 26728 7604 9231 32968 49880 -3367 35331 42886 9722 50932 -69 41238 36944 13074 44135 1048 -8398 -2004 14754 -1964 26653 13135 -12503 -3598 -9856 1491 -48 -1956 6062 -139 10286 3733 -942 -260 -6563 -5865 -14691 -10051 1528 982 -5252 4928 -2095 -2916 -8740 -4736 -9719 -7380 -4832 -2944 1654 -1043 631 6436 -95 -1728 -1447 -1911 2765 -2762 -982 -960 763 3745 2535 5511 1151 1922 -4023 3741 -3395 4334 3087 416 83 269 -937 159 -1223 -54 1712 -418 1131 -461 -201 -3008 -10490 3700 900000 2644 2423 -1549 3888 1309 -814 1652 1590 1643 900000 900000 900000 2256 2894 3307 3227 2623 900000 900000 2345 2286 1130 1844 1485 1665 868 900000 1987 -1668 2188 1734 1895 900000 2511 2259 900000 3572 2460 4016 900000 3568 2678 3286 3441 1816 3408 900000 4149 4422 4636 5007 4959 5057 198 2711 881 1014 2906 4035 -520 4095 4816 1514 5289 -12 5427 5665 2731 6874 242 -1957 -392 2191 -330 3540 2300 -3382 -1047 -3487 517 -18 -796 2401 -61 4136 1587 -403 -104 -2671 -2380 -7042 -5315 854 652 -4268 3915 -1788 -2362 -6828 -3305 -7170 -5641 -3839 -2474 1463 -1074 733 7935 -122 -2310 -1906 -2463 3702 -3654 -1345 -1385 1105 5172 3411 7659 1620 2609 -5678 4942 -4785 6507 5373 831 181 629 -2383 426 -3193 -141 4468 -1092 3011 -1163 -478 -7221 SS 20250826T111848.1Z 9369.471390 65 1 51.67 2 81.41 83.78 118.44 74.22 0.00 1 0.00 1 0 17 5.782e-01 1.554e-02 7.472e-02 2.342e-03 7.371934e-01 1.306351e-03 9.299940e-03 -6.000000e+00 3.496331e-01 230.88 -2.00 3.48 -2.00 321.41 0.00e+00 3.793636e-03 7.141345e-04 9.214802e-03 -6.000000e+00 1.584456e-02 290.43 -2.00 20.00 -2.00 320.78 0.00e+00 6.304 0.004 302.00 328.00 3 7.0640e-01 4.8642e-03 8.7843e-02 -6.0000e+00 8.7169e-01 2.6406e-01 6.6316e-03 7.3032e-02 -6.0000e+00 9.4274e-01 -4.2723e-01 5.9827e-03 2.7109e-02 -6.0000e+00 5.6339e-01 1.7090e-01 2.7733e-03 5.6968e-03 -6.0000e+00 2.3444e-01 2.4661e-04 1.0168e-04 6.7609e-05 1.7033e-04 -6.0000e+00 1.7917e-02 1.1550e-02 2.8971e-05 12 8 8 10 0 0 42.35 23.43 0.64 0.01155 0.01231 157 26 1 5 0 329.040 26.21 20.01 23.43 25.25 7.2 999.76 -278440 -220148 -123113 -139837 -200907 -212726 -149139 -141652 -163222 -140256 -171124 -126356 -125262 -112961 -83537 -81559 -53842 -34124 -56165 -54556 -16876 -41367 -6618 -50820 -40578 -27223 -53751 -36599 -54624 -20743 -32654 -36525 -6911 -19191 -7123 -11564 -3256 4518 28771 10089 9150 16471 20045 9910 10411 12736 10135 1260 10155 16627 6865 14829 10930 18019 10842 15454 6879 6417 4980 6808 7644 7489 9055 9694 9774 4880 6466 2437 4947 6239 6057 5739 2967 53 508 -1480 -1980 -1134 -4185 -3549 -1482 -2386 -796 -1500 -541 292 686 449 891 -403 279 -1105 -1984 -3005 -2339 -986 -247 -211 50 -929 -2277 -2711 -2636 -2413 -2190 -2200 -742 -455 615 1020 1306 252 18 -199 -696 -174 -285 238 410 935 1311 1352 1466 1172 633 -415 328 -124 474 381 -18 -353 -241 -302 42 -2 396 473 62 401 -574 -525 -1190 -8036 -4160 -946 -1248 -3087 -3578 -1393 -1353 -2135 -1573 -2807 -1522 -1873 -1923 -1336 -1541 -971 -561 -1244 -1246 -270 -850 -100 -1277 -982 -603 -1571 -886 -1597 -474 -999 -1393 -226 -758 -247 -423 -120 181 1091 546 564 1019 1259 708 754 922 775 110 860 1435 729 1629 1378 2305 1587 2255 1120 1045 804 1070 1238 1339 1810 2152 2295 1209 1595 659 1447 2046 2181 2159 1132 20 171 -462 -592 -349 -1508 -1508 -659 -1224 -443 -902 -345 197 482 324 637 -281 182 -694 -1242 -2011 -1761 -855 -227 -220 56 -1055 -2471 -2697 -2445 -2248 -2157 -2301 -818 -543 807 1384 1957 404 30 -315 -1065 -259 -431 376 679 1582 2182 2173 2273 1758 921 -592 464 -189 809 681 -35 -703 -510 -683 100 -5 956 1154 150 983 -1340 -1163 -2619 SS 20250826T113641.4Z 9369.483813 73 1 51.64 2 77.96 86.57 115.24 77.44 0.00 1 0.00 1 0 17 3.030e-01 9.432e-03 1.580e-02 7.556e-04 5.777647e-01 4.058625e-04 6.804275e-03 -6.000000e+00 1.832370e-01 230.88 -2.00 3.48 -2.00 320.21 0.00e+00 2.422360e-03 1.495237e-04 2.941965e-03 -6.000000e+00 8.304171e-03 290.43 -2.00 20.00 -2.00 319.43 0.00e+00 4.648 0.002 302.00 328.00 3 4.8171e-01 1.2430e-03 5.6639e-02 -6.0000e+00 4.5684e-01 2.9100e-02 1.5397e-03 3.4241e-02 -6.0000e+00 4.9408e-01 -7.3813e-02 1.2869e-03 1.6244e-02 -6.0000e+00 2.9526e-01 2.3245e-02 6.4721e-04 4.1331e-03 -6.0000e+00 1.2286e-01 1.7432e-03 -1.3320e-04 2.2649e-05 7.1946e-05 -6.0000e+00 9.3903e-03 1.1096e-02 4.5828e-06 12 8 8 10 0 0 25.49 23.43 0.48 0.01110 0.01009 466 76 1 5 0 110.810 26.21 20.00 23.43 27.97 7.1 1016.58 -134729 -106458 -75111 -98074 -105786 -113407 -88543 -104721 -85607 -86877 -71535 -70634 -56164 -50804 -35319 -28086 -23729 -15833 -19745 -17193 -16577 -13038 -16953 -13897 -13017 -14423 -16307 -15659 -15285 -14571 -10469 -11101 -3225 -7514 -9143 -9392 -7574 -3042 -373 985 808 2452 2003 2352 1747 2492 1452 608 1500 2108 2282 2915 4191 3694 3144 2734 2026 1176 518 1283 1828 2799 3748 3551 2491 1162 690 238 1219 2064 1819 1653 1246 133 -414 -1728 -2287 -2643 -2605 -1894 -1813 -1806 -1964 -1649 -715 -105 515 946 791 662 305 -286 -976 -1100 -900 -324 236 376 102 -534 -1263 -1756 -1324 -820 -1215 -1118 -661 -208 637 1014 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