File name: Pandora75s1_EssexMD_20241030_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T144914.1Z 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_20241030_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: 20241030 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 20241030T121615.8Z 9069.511294 101 1 51.92 2 82.90 114.70 64.32 125.57 0.00 1 0.00 1 0 17 5.768e-01 3.852e-02 2.417e-01 1.187e-02 6.832880e-01 6.755458e-03 1.059624e-02 -6.000000e+00 3.447179e-01 224.84 -2.00 3.48 -2.00 321.79 0.00e+00 1.450899e-02 3.591744e-03 1.380259e-02 -6.000000e+00 1.608313e-02 283.54 -2.00 20.00 -2.00 321.25 0.00e+00 7.439 0.007 302.00 328.00 3 2.1628e+00 2.4690e-02 1.0347e-01 -6.0000e+00 8.4947e-01 9.3987e-01 2.9341e-02 7.7321e-02 -6.0000e+00 9.2521e-01 -1.3774e+00 1.8895e-02 2.5933e-02 -6.0000e+00 5.5075e-01 5.7938e-01 9.3260e-03 4.9431e-03 -6.0000e+00 2.3183e-01 1.8899e-05 -1.4506e-03 3.8562e-04 3.2101e-04 -6.0000e+00 1.8724e-02 9.7673e-03 -8.3992e-05 12 8 8 10 0 0 23.40 23.55 1.84 0.00977 -0.00113 22 4 1 5 0 2359.690 26.32 20.00 23.55 20.51 5.5 960.82 -96790 15193 900000 104715 -4744 11497 900000 -877 -43487 48331 144594 1300 900000 900000 44517 -939 147006 85060 51354 42588 78884 900000 900000 56886 77348 81467 11660 -31379 29821 900000 11632 59034 248066 107664 110143 900000 44598 5011 900000 900000 64864 284597 116489 114526 16259 154367 79537 11808 76009 63306 59896 66255 69818 160316 40700 121291 16801 26594 19274 10329 24993 57173 36892 23359 43537 -28026 34051 3457 27434 25753 5952 42246 -8296 1717 4702 -1008 5703 17802 2866 -13272 575 -6381 -7839 2364 -1889 -8945 -2392 6331 -1375 -875 2147 -11552 -4290 -6260 -10211 4223 1124 -3445 2624 -619 -1571 -6966 -2034 -5674 -4399 -7452 -2965 1036 -1509 1661 7637 -196 -1921 -1943 -2221 4048 145 -444 626 2490 3966 3277 2978 3031 1504 -2207 2510 -4336 3657 1695 1865 -10 -1130 706 -873 -506 -1398 1032 -663 1104 345 -451 -2171 -13608 830 900000 2090 -239 423 900000 -31 -2284 965 1671 42 900000 900000 1683 -64 2471 2770 2374 2103 2569 900000 900000 1912 2031 1968 539 -2110 1065 900000 611 2232 2866 2827 2661 900000 2015 368 900000 900000 3897 3289 4442 4499 1710 4103 4503 1337 4655 4609 4845 5436 5889 5743 4938 6587 2563 3565 2673 1540 3321 6012 5329 4265 6792 -8841 5705 807 5453 5803 1767 8982 -2857 500 1206 -247 1232 3497 735 -4723 208 -2809 -3832 1112 -987 -5313 -1393 3467 -812 -496 1111 -6474 -2186 -3407 -6513 2723 874 -3209 2493 -611 -1481 -6343 -1643 -4766 -3868 -7198 -2933 1071 -1779 1940 9307 -273 -2762 -2727 -3005 5026 190 -617 911 3677 5741 4640 4098 4035 2160 -3200 3457 -6190 5424 2889 3493 -21 -2485 1622 -2171 -1312 -3747 2732 -1766 2767 820 -1025 -4919 SS 20241030T122650.8Z 9069.518644 104 1 51.28 2 81.06 116.50 62.74 127.84 0.00 1 0.00 1 0 17 4.420e-01 1.454e-02 1.003e-01 3.521e-03 6.183927e-01 1.907001e-03 7.936840e-03 -6.000000e+00 2.615421e-01 224.84 -2.00 3.48 -2.00 321.18 0.00e+00 6.445227e-03 9.431435e-04 6.689070e-03 -6.000000e+00 1.200190e-02 283.54 -2.00 20.00 -2.00 320.59 0.00e+00 6.091 0.004 302.00 328.00 3 1.8200e+00 6.5809e-03 7.4499e-02 -6.0000e+00 6.4427e-01 1.3780e-01 8.7368e-03 4.9472e-02 -6.0000e+00 7.0097e-01 -2.6556e-01 8.2088e-03 2.5209e-02 -6.0000e+00 4.1914e-01 1.0308e-01 3.8971e-03 7.1007e-03 -6.0000e+00 1.7718e-01 1.1723e-04 -1.5104e-04 1.0951e-04 1.8181e-04 -6.0000e+00 1.3760e-02 8.4446e-03 -1.7491e-05 12 8 8 10 0 0 7.14 23.55 0.96 0.00844 0.00731 71 12 1 5 0 722.260 26.32 20.00 23.55 21.57 5.4 967.57 900000 -181414 900000 -156507 -165046 -172193 -147316 -134475 -191431 -96116 -129810 -44189 -40728 -28380 -83328 -68981 -49136 7945 -46733 -58273 50895 -10327 4149 -55232 -45097 -28576 -32573 -40875 -41038 61681 -2519 -4943 4842 -1959 -2141 3872 -1780 -9125 30869 18012 2978 14385 18935 8939 5226 13235 6818 -2318 4535 13922 3244 10169 9937 22015 3202 15555 1672 3936 -1496 -588 2446 5670 8368 5178 6363 -4044 6094 2524 4233 4345 3236 3564 1145 -536 -287 -273 -3750 1063 -4913 -4804 -2778 -2800 -2954 -1953 -597 -1098 1174 1519 1330 -852 1033 -1735 -823 -2494 -1444 -128 1266 421 445 -241 -1735 -1997 -2293 -1346 -2033 -2137 -1342 -547 710 1079 2215 600 38 -595 -934 253 -534 222 444 541 979 1112 1234 1485 318 -374 177 -1217 814 252 -76 -722 -455 -388 74 -57 332 632 -122 603 -333 -374 -932 900000 -3680 900000 -2637 -2833 -3063 -2115 -1846 -5078 -1050 -2106 -345 -381 -301 -1924 -1657 -1214 123 -1347 -1980 594 -223 80 -2029 -1579 -883 -1062 -1431 -1451 847 -77 -183 186 -86 -93 159 -84 -542 1473 1150 248 1155 1534 828 515 1236 697 -269 515 1544 441 1431 1535 3257 605 2691 339 778 -307 -119 504 1246 2019 1431 1824 -1278 1734 772 1396 1618 1335 1529 499 -225 -111 -96 -1290 356 -1955 -2241 -1479 -1540 -1784 -1250 -403 -795 873 1157 1014 -641 717 -1168 -535 -1714 -1095 -111 1249 435 493 -268 -1854 -2141 -2315 -1360 -2197 -2252 -1496 -653 921 1551 3446 918 58 -892 -1453 378 -815 351 685 862 1547 1708 1990 2306 481 -552 257 -1902 1282 446 -147 -1395 -927 -839 171 -136 818 1470 -282 1433 -759 -816 -2019 SS 20241030T123904.0Z 9069.527130 109 1 51.70 2 78.96 118.64 60.98 130.57 0.00 1 0.00 1 0 17 2.790e-01 9.863e-03 3.058e-02 1.447e-03 5.353800e-01 7.631107e-04 6.430218e-03 -6.000000e+00 1.650452e-01 224.84 -2.00 3.48 -2.00 320.32 0.00e+00 2.970362e-03 2.884193e-04 3.028583e-03 -6.000000e+00 7.429609e-03 283.54 -2.00 20.00 -2.00 319.67 0.00e+00 5.037 0.002 302.00 328.00 3 1.4242e+00 2.3152e-03 5.8155e-02 -6.0000e+00 4.0661e-01 8.6349e-03 2.8702e-03 3.1509e-02 -6.0000e+00 4.4219e-01 -7.2603e-02 2.5163e-03 1.6019e-02 -6.0000e+00 2.6441e-01 2.1631e-02 1.2649e-03 4.6504e-03 -6.0000e+00 1.1063e-01 5.1658e-04 -2.0231e-04 4.4971e-05 8.5373e-05 -6.0000e+00 8.6302e-03 8.3483e-03 -8.2920e-06 12 8 8 10 0 0 40.87 23.56 0.60 0.00835 0.00683 177 29 1 5 0 292.040 26.32 19.99 23.56 22.74 5.4 975.90 -149942 -87776 -57466 -94764 -98182 -99530 -79643 -90257 -83599 -65280 -75586 -53617 -28135 -60118 -31889 -29928 -12807 -16126 -13673 -20778 -8868 -7246 -6215 -2541 -17489 -6732 -20142 -13669 -21152 -3846 -5494 -8996 939 -8125 -6002 -7023 -4496 -4307 1030 -143 -125 1683 3673 3529 818 5123 828 863 86 3722 2671 3559 2614 5485 3366 3504 1314 -295 304 -372 1737 2609 3990 4071 2140 236 865 612 1503 2731 1226 2568 1001 137 -211 -1521 -2014 -2432 -2708 -2809 -1835 -2613 -1891 -1657 -414 -121 518 1693 1115 588 255 -667 -1107 -1079 -870 -123 313 582 314 -270 -1265 -1874 -1240 -1111 -1168 -1669 -642 -194 658 1187 1168 610 183 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