File name: Pandora75s1_EssexMD_20251201_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20251202T050023.4Z 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_20251201_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: 20251201 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 20251201T130005.0Z 9466.541725 172 1 51.45 2 82.16 126.80 129.55 348.19 0.00 1 0.00 1 0 25 5.194e-01 1.926e-02 1.020e-01 3.099e-03 8.354814e-01 1.713081e-03 1.075127e-02 -6.000000e+00 3.050003e-01 223.32 -2.00 3.48 -2.00 321.73 0.00e+00 1.176097e-02 9.606746e-04 9.154122e-03 -6.000000e+00 1.381915e-02 280.03 -2.00 20.00 -2.00 321.24 0.00e+00 6.841 0.006 302.00 328.00 3 5.1867e-01 6.2535e-03 8.8280e-02 -6.0000e+00 7.4971e-01 6.0987e-01 8.6332e-03 5.9443e-02 -6.0000e+00 8.1711e-01 -8.4026e-01 8.3635e-03 3.5453e-02 -6.0000e+00 4.8830e-01 3.3826e-01 3.8499e-03 1.4285e-02 -6.0000e+00 2.0457e-01 1.5092e-04 -5.1387e-04 8.6234e-05 3.6858e-04 -6.0000e+00 1.6082e-02 1.8231e-02 -4.0999e-05 12 8 8 10 0 0 87.93 22.90 0.82 0.01823 0.01437 132 21 1 5 0 389.740 25.79 19.99 22.90 8.99 7.6 891.89 -259005 -146252 900000 -141839 -169380 -205737 -53451 -205076 -127551 -151194 -151950 -125383 -85951 -72085 -59675 -56097 -58819 -33978 -52537 -13343 -2255 -47783 -47118 -47771 -31832 -33887 -62118 -56202 10695 869 -17181 -7151 62734 -1866 4880 20738 11951 -7217 37414 19712 18021 40890 19219 23769 10907 24237 19145 21529 23126 20934 24986 19089 28860 36973 22479 26292 14212 13038 6742 9976 12239 13400 13273 15285 10497 13948 11942 5891 7687 10262 8394 11032 4621 1531 1525 -1085 -1817 -817 -1999 -1240 -1109 -229 -805 -1335 -2326 2134 669 2252 1050 -306 -393 -2632 -2950 -5617 -3650 -2209 -674 -931 471 -1140 -2025 -3319 -2914 -2204 -2706 -2336 -1898 -462 -243 785 1114 69 -834 -1189 -1371 -561 -99 157 1349 1455 2087 2127 1832 1151 1056 -22 853 -180 843 690 24 -116 -275 -141 -17 107 465 604 24 333 -590 -913 -1711 -10389 -2210 900000 -2065 -2932 -4748 -264 -4733 -1402 -2160 -2296 -1688 -1015 -990 -934 -1033 -1277 -635 -1256 -220 -33 -1063 -1036 -1184 -683 -748 -1802 -1512 152 15 -452 -207 1043 -63 149 533 358 -299 1165 846 871 1681 1028 1250 666 1333 1151 1334 1510 1525 1948 1759 2643 3363 2480 2860 1752 1592 848 1200 1502 1810 2062 2628 2021 2630 2346 1301 1849 2714 2453 3227 1401 444 399 -264 -430 -203 -583 -432 -457 -107 -417 -675 -1264 1171 388 1311 613 -174 -211 -1514 -1706 -3270 -2403 -1699 -602 -957 516 -1161 -2127 -3193 -2574 -1929 -2509 -2289 -1986 -523 -284 1035 1637 109 -1254 -1907 -2130 -849 -152 253 2239 2263 3412 3330 2769 1692 1503 -30 1196 -278 1362 1274 49 -241 -614 -337 -44 264 1165 1517 61 835 -1395 -2040 -3795 SS 20251201T131106.7Z 9466.549383 175 1 28.37 2 80.48 128.75 129.86 351.52 0.00 1 0.00 1 0 25 5.587e-01 3.015e-02 2.994e-01 7.875e-03 7.134360e-01 4.354887e-03 1.024271e-02 -6.000000e+00 3.308554e-01 223.32 -2.00 3.48 -2.00 321.40 0.00e+00 1.255892e-02 2.184416e-03 1.003655e-02 -6.000000e+00 1.521888e-02 280.02 -2.00 20.00 -2.00 320.87 0.00e+00 5.761 0.003 302.00 328.00 3 2.7854e+00 1.4860e-02 7.9526e-02 -6.0000e+00 8.1300e-01 5.3712e-01 1.9000e-02 5.9453e-02 -6.0000e+00 8.8606e-01 -8.6621e-01 1.6331e-02 2.9542e-02 -6.0000e+00 5.2803e-01 3.8236e-01 7.7392e-03 9.3447e-03 -6.0000e+00 2.2098e-01 4.9382e-05 -4.8011e-04 2.3378e-04 3.2607e-04 -6.0000e+00 1.7695e-02 1.7497e-02 2.8290e-05 12 9 9 12 9 1 76.13 22.91 0.59 0.01750 0.01389 12 4 1 5 0 2181.860 25.79 20.00 22.91 10.08 7.5 899.00 -204133 96995 133928 900000 -118398 87667 900000 -59020 -104765 -49227 -131089 68936 900000 900000 127396 -22957 167486 49881 54425 48514 53256 202999 -22812 39263 12728 95089 46892 -15617 166585 900000 106862 51972 153265 14369 131567 47995 104351 -25023 177388 30803 29729 91621 79948 37600 12238 71084 24161 39293 18833 41478 51351 27429 34008 50071 29072 36133 18030 8969 17513 14635 24254 19414 18261 17979 17294 13794 12015 8413 6562 13260 5171 13254 -1381 -4204 -2886 -2607 -4856 -4739 3234 -7742 3762 -397 -4537 -1770 -7373 -1379 -3023 1220 -1529 3816 -3247 -2774 -2506 -6497 -6336 -1810 -388 -3271 596 -834 -1882 -3227 -3225 -1383 -4371 -3390 -2785 832 -1305 972 2722 1089 -1618 -957 -466 1101 -460 -132 572 776 3060 2114 3167 1146 2853 -800 2551 -367 2312 1523 -33 450 -215 -70 -332 190 -687 871 -641 843 -613 -1417 -2122 -17797 744 1028 900000 -4294 673 900000 -1029 -2923 -790 -4846 529 900000 900000 977 -769 1285 974 1063 1015 1040 1557 -891 904 381 1240 971 -587 1278 900000 1558 1555 1881 739 2019 1657 2162 -2131 2314 1985 2121 3726 3803 2798 1192 3927 2187 3165 1951 3660 4491 3346 4201 5609 4171 4907 2933 1562 2714 2313 3629 3366 3629 3987 4060 3344 2968 2240 1948 4131 1892 4606 -543 -1587 -976 -796 -1446 -1465 1050 -3327 1685 -211 -2497 -1010 -4736 -883 -2056 813 -1042 2372 -2033 -1801 -1598 -4142 -4570 -1459 -360 -3562 672 -952 -2040 -3225 -2999 -1267 -4366 -3558 -3106 974 -1591 1303 3961 1702 -2615 -1495 -695 1578 -681 -205 923 1281 4863 3273 4683 1667 3935 -1112 3421 -542 3754 2805 -63 910 -464 -160 -751 446 -1658 2086 -1530 2033 -1408 -3104 -4602 SS 20251201T132013.3Z 9466.555709 181 1 51.59 2 79.12 130.39 130.03 354.30 0.00 1 0.00 1 0 17 4.464e-01 1.108e-02 2.455e-02 9.857e-04 6.638075e-01 5.242464e-04 7.869121e-03 -6.000000e+00 2.621943e-01 223.32 -2.00 3.48 -2.00 320.63 0.00e+00 4.650346e-03 2.180806e-04 3.828405e-03 -6.000000e+00 1.171397e-02 280.02 -2.00 20.00 -2.00 320.06 0.00e+00 5.105 0.002 302.00 328.00 3 4.7940e-01 1.6245e-03 6.2384e-02 -6.0000e+00 6.4452e-01 1.1998e-01 2.0834e-03 3.8027e-02 -6.0000e+00 7.0239e-01 -1.6744e-01 1.9751e-03 2.1584e-02 -6.0000e+00 4.1955e-01 6.0414e-02 9.7377e-04 7.7276e-03 -6.0000e+00 1.7522e-01 1.0220e-03 -1.3079e-04 2.8577e-05 1.3711e-04 -6.0000e+00 1.3802e-02 1.6703e-02 -1.7419e-05 12 8 8 10 0 0 94.51 22.91 0.54 0.01670 0.01572 344 56 1 5 0 149.950 25.79 20.00 22.91 10.81 7.6 904.05 -192781 -150858 -106404 -132499 -143778 -165331 -130583 -147644 -132965 -126529 -121061 -118514 -92630 -69892 -62581 -41828 -44033 -27430 -40065 -28837 -25433 -27788 -30316 -28090 -28981 -25646 -26946 -31671 -26675 -19355 -15181 -13315 -4403 -7918 -9562 -9518 -8490 -6235 1122 2567 3643 4164 3193 3539 1234 4068 4159 3269 3638 4671 4287 4966 6022 6401 4769 4489 2333 1447 921 1785 2067 4039 4505 4117 3372 2023 1725 1732 2091 2815 2521 2152 1638 163 -858 -1792 -2867 -2558 -2978 -1810 -1559 -1623 -1958 -1506 -1049 -383 618 1005 797 490 305 -863 -1223 -1517 -1273 -479 487 323 140 -609 -1340 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