File name: Pandora75s1_EssexMD_20241127_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T165727.3Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20241127_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: 20241127 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 20241127T125517.9Z 9097.538401 168 1 51.57 2 82.24 125.78 53.66 158.10 0.00 1 0.00 1 0 17 5.226e-01 1.644e-02 1.481e-01 2.856e-03 7.751439e-01 1.560239e-03 9.710191e-03 -6.000000e+00 3.072093e-01 223.37 -2.00 3.48 -2.00 321.62 0.00e+00 1.023241e-02 8.624327e-04 7.679956e-03 -6.000000e+00 1.373266e-02 280.35 -2.00 20.00 -2.00 321.11 0.00e+00 6.900 0.006 302.00 328.00 3 4.2890e-01 5.6422e-03 8.5188e-02 -6.0000e+00 7.5518e-01 4.3135e-01 7.8224e-03 5.4235e-02 -6.0000e+00 8.2273e-01 -6.0107e-01 7.7436e-03 3.2162e-02 -6.0000e+00 4.9152e-01 2.4030e-01 3.5840e-03 1.2395e-02 -6.0000e+00 2.0548e-01 1.7328e-04 -7.1621e-04 8.1728e-05 2.9156e-04 -6.0000e+00 1.6157e-02 1.0734e-02 -7.6513e-05 12 9 8 11 8 0 45.89 22.94 0.77 0.01073 0.00535 138 22 1 5 0 373.630 25.79 20.00 22.94 12.56 5.8 910.49 -278672 -194774 -19412 14988 -152094 -202960 -68302 -190362 -153846 -149420 -153933 -131320 -113878 -87232 -61608 -45057 -72990 -41208 -69384 -54922 2884 -32918 -29182 -28780 -24116 -35622 -54975 -57090 -31081 -29479 -26203 -31386 4286 -13105 -9188 22169 -7515 3523 10624 13989 8147 22851 11194 15067 11295 14401 11890 10653 18701 24108 23197 19658 19991 25785 20385 14587 5909 9113 1883 9040 1901 9588 11335 13694 9385 3058 6846 4900 7674 8377 7493 6396 4417 -1092 983 -4029 -1597 -4321 -2562 -2012 -2229 -1045 -1121 -1226 -1077 804 381 2450 933 62 -1239 -3522 -1878 -4231 -2556 -1220 320 -430 227 -947 -1523 -2628 -1785 -1792 -2439 -1684 -2101 -561 332 914 1118 448 -375 -697 -1038 -434 -267 198 685 516 1698 1422 1968 1591 842 40 56 -279 482 518 40 -302 -118 -135 -145 -85 464 416 242 276 -487 -756 -1100 -9665 -3452 -64 42 -1694 -3545 -311 -3084 -1831 -1778 -2026 -1596 -1499 -1170 -827 -627 -1552 -709 -1704 -1331 39 -633 -544 -553 -457 -774 -1454 -1526 -658 -690 -722 -1110 123 -478 -317 556 -272 131 438 651 449 1171 680 910 727 926 815 777 1344 1786 1932 1894 2110 2779 2447 1913 856 1261 273 1208 285 1477 1963 2612 1994 700 1531 1176 1981 2428 2391 2137 1476 -361 289 -1131 -419 -1220 -815 -762 -998 -529 -569 -667 -625 485 241 1555 598 39 -737 -2038 -1060 -2604 -1765 -978 296 -421 239 -1013 -1543 -2666 -1661 -1664 -2406 -1749 -2346 -617 405 1256 1707 678 -581 -1058 -1524 -672 -420 299 1081 835 2667 2156 3100 2429 1252 59 81 -440 792 966 78 -631 -262 -322 -344 -210 1165 1055 606 658 -1179 -1734 -2489 SS 20241127T130613.7Z 9097.545992 171 1 51.61 2 80.55 127.71 52.98 161.27 0.00 1 0.00 1 0 17 5.171e-01 1.172e-02 3.900e-02 1.357e-03 6.821121e-01 7.292408e-04 8.328239e-03 -6.000000e+00 3.040268e-01 223.37 -2.00 3.48 -2.00 320.96 0.00e+00 5.658184e-03 3.329660e-04 5.014966e-03 -6.000000e+00 1.358704e-02 280.35 -2.00 20.00 -2.00 320.40 0.00e+00 5.799 0.003 302.00 328.00 3 3.5079e-01 2.3555e-03 7.0109e-02 -6.0000e+00 7.4736e-01 1.4964e-01 3.1272e-03 4.3114e-02 -6.0000e+00 8.1414e-01 -2.1206e-01 3.0688e-03 2.4488e-02 -6.0000e+00 4.8640e-01 7.8363e-02 1.4801e-03 8.4837e-03 -6.0000e+00 2.0339e-01 6.0062e-04 -4.0378e-04 3.9374e-05 1.6464e-04 -6.0000e+00 1.5985e-02 9.9688e-03 -4.1239e-05 12 8 8 10 0 0 20.54 22.94 0.55 0.00997 0.00693 280 46 1 5 0 184.310 25.79 20.00 22.94 14.54 5.7 924.67 -234391 -164436 -148217 -143813 -179736 -185537 -130546 -176836 -147507 -142383 -126018 -123163 -102151 -96930 -71789 -66060 -53432 -56479 -44121 -40319 -29664 -30344 -33354 -24578 -34879 -33711 -34799 -40949 -26950 -23282 -16248 -15601 -2705 -12174 -10050 -13135 -8360 -5276 3034 1147 1360 3147 4233 3028 3992 7310 4752 4718 5328 5877 5443 7559 8157 9353 7449 4568 3513 1990 1095 1107 3260 4109 6004 6075 4220 2248 2389 2111 2351 3376 2879 2878 1507 -520 15 -2460 -2609 -4167 -2752 -2504 -1990 -1664 -1550 -1500 -437 -1 275 1487 879 206 29 -1328 -1474 -1965 -1664 -451 277 436 268 -672 -1260 -1947 -1474 -1254 -1456 -1503 -986 -283 666 1047 954 674 214 -205 -601 -288 -17 242 461 570 877 995 1186 850 438 -137 -168 -104 202 128 -157 -419 -365 -271 -93 32 356 444 182 190 -281 -589 -630 -4568 -1899 -1587 -1471 -2487 -2656 -1131 -2681 -1846 -2016 -1634 -1793 -1528 -1796 -1321 -1399 -1153 -1405 -1057 -982 -667 -695 -817 -589 -988 -990 -1055 -1311 -763 -699 -542 -621 -110 -583 -470 -638 -423 -303 194 88 118 292 411 308 413 753 519 538 640 761 787 1195 1413 1740 1501 986 784 450 245 246 740 1022 1663 1879 1406 766 743 688 843 1357 1273 1326 695 -231 6 -928 -937 -1569 -1151 -1234 -1142 -1084 -1016 -1052 -324 0 225 1235 731 166 22 -967 -1054 -1480 -1405 -436 285 509 312 -789 -1511 -2143 -1506 -1283 -1578 -1728 -1202 -344 887 1554 1457 1087 348 -325 -914 -424 -26 376 750 952 1444 1583 1819 1261 673 -206 -250 -154 333 222 -301 -811 -746 -591 -203 73 828 1045 423 424 -629 -1259 -1329 SS 20241127T131541.7Z 9097.552566 177 1 7.08 2 79.12 129.41 52.48 164.07 0.00 1 0.00 1 0 25 3.850e-01 2.301e-02 2.738e-01 1.131e-02 6.025448e-01 6.010031e-03 1.180414e-02 -6.000000e+00 2.288654e-01 223.37 -2.00 3.48 -2.00 320.62 0.00e+00 7.703981e-03 2.496144e-03 1.393960e-02 -6.000000e+00 1.031095e-02 280.35 -2.00 20.00 -2.00 320.07 0.00e+00 5.103 0.002 302.00 328.00 3 2.8993e+00 1.8754e-02 8.2812e-02 -6.0000e+00 5.6278e-01 2.0463e-01 2.3495e-02 7.8908e-02 -6.0000e+00 6.1102e-01 -3.3777e-01 2.0754e-02 3.7933e-02 -6.0000e+00 3.6506e-01 1.4700e-01 1.0256e-02 9.7940e-03 -6.0000e+00 1.5581e-01 9.7414e-05 1.0071e-02 3.4099e-04 3.3421e-04 -6.0000e+00 1.1975e-02 -2.7644e-02 1.4942e-03 12 9 9 12 1 1 45.74 22.94 0.74 -0.02764 0.04803 3 5 1 5 0 1769.050 25.79 20.00 22.94 16.10 5.6 932.93 900000 -34247 -151454 900000 -133751 -40712 -40422 -98730 -130242 69800 -158665 -121281 -91630 -70936 80522 -48638 71421 -79998 106476 -54037 6102 -33854 2948 13420 -51907 113881 -833 3507 -47985 6362 -51514 -19690 -15932 -7336 6572 -11167 18878 1260 49433 7142 47092 7504 36762 8249 3952 6198 4656 25408 6330 36136 1046 19345 13235 22149 18261 7156 1966 4325 2290 -2896 14589 4475 7682 5708 12030 -2040 5123 715 -711 3422 -1093 6405 30 2301 -1668 -1366 -4105 -3734 -1306 -4865 2560 -4233 -1962 -3107 99 -1504 365 -321 1002 1918 -1821 -1102 -6074 -2000 -3102 274 119 -617 1161 -1080 -2309 -2843 -218 -2334 -2565 -3221 -1444 1148 1477 1798 2427 2345 12 602 -1845 1069 -2293 764 389 907 -161 2179 1261 2006 1719 -816 544 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