File name: Pandora75s1_EssexMD_20241130_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T083127.4Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20241130_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: 20241130 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 20241130T125854.5Z 9100.540909 67 1 51.83 2 82.21 126.57 79.47 135.18 0.00 1 0.00 1 0 17 4.078e-01 2.196e-02 1.867e-01 4.249e-03 8.683545e-01 2.387263e-03 1.080458e-02 -6.000000e+00 2.397020e-01 223.32 -2.00 3.48 -2.00 321.92 0.00e+00 1.353377e-02 1.379362e-03 8.302378e-03 -6.000000e+00 1.084778e-02 280.03 -2.00 20.00 -2.00 321.43 0.00e+00 6.880 0.006 302.00 328.00 3 9.6282e-01 8.9646e-03 8.7679e-02 -6.0000e+00 5.8922e-01 7.7991e-01 1.2074e-02 5.5551e-02 -6.0000e+00 6.4197e-01 -1.1389e+00 1.1060e-02 3.2250e-02 -6.0000e+00 3.8366e-01 4.6428e-01 5.0791e-03 1.3516e-02 -6.0000e+00 1.6092e-01 8.9463e-05 -8.2348e-04 1.1772e-04 3.5900e-04 -6.0000e+00 1.2622e-02 1.0730e-02 -7.1916e-05 12 9 8 11 8 0 -0.86 23.08 0.90 0.01073 0.00454 88 14 1 5 0 588.860 25.90 20.00 23.08 5.98 5.7 864.36 -228543 -115467 900000 13550 -61545 -112871 15805 -111792 -154647 -106445 -89582 50364 -9209 -16439 -62409 -51215 -20187 -35710 -10429 -46354 61642 -5201 11717 -46512 -49880 -2205 -77053 -23351 -28406 63927 -25463 11010 26372 5785 -2485 50965 13647 16423 111912 26846 27542 58526 50235 36944 18845 61739 51635 25202 35278 60292 34520 32416 30905 59933 35107 43376 9943 17739 11818 7670 20105 15152 22262 20038 23154 16542 19483 12480 16398 15404 10001 19111 6274 -507 4762 4043 -758 1253 -3154 906 -1359 -807 -174 -448 -2270 763 543 1134 887 -806 -842 -5173 -2056 -4787 -4641 -1627 -1044 -1714 -41 -1533 -1917 -3377 -3757 -2641 -3525 -3565 -2726 -1639 -602 701 1579 -468 -97 -1270 -910 -142 -1032 107 202 1546 1826 2457 2667 2119 1916 478 1103 -742 893 844 890 -79 253 74 -40 -85 139 449 -557 603 -785 -508 -1715 -12998 -2435 900000 77 -649 -1786 65 -1642 -3495 -1483 -1080 209 -73 -186 -1434 -1273 -418 -941 -224 -1432 627 -98 181 -1279 -1409 -38 -2757 -475 -621 689 -823 301 710 201 -91 1056 430 565 1716 1101 1232 2037 1977 1699 1054 2302 2203 1472 1988 2873 2360 2511 2651 4122 3229 3738 1195 1918 1302 864 2074 1820 2859 2980 3578 2776 3237 2347 3275 3497 2598 4656 1687 -135 1083 836 -158 271 -827 275 -502 -341 -80 -222 -1218 419 311 659 513 -456 -449 -2752 -1061 -2739 -2786 -1128 -853 -1628 -42 -1590 -1877 -3030 -3103 -2136 -3026 -3250 -2646 -1730 -711 859 2160 -703 -149 -1945 -1347 -204 -1533 164 325 2499 2875 3678 3832 2960 2596 642 1482 -1104 1505 1635 1778 -173 593 174 -100 -222 367 1194 -1467 1489 -1970 -1195 -3992 SS 20241130T130952.4Z 9100.548523 70 1 51.56 2 80.53 128.50 78.07 137.19 0.00 1 0.00 1 0 25 6.229e-01 1.530e-02 6.297e-02 2.031e-03 7.763513e-01 1.109375e-03 9.752437e-03 -6.000000e+00 3.662385e-01 223.32 -2.00 3.48 -2.00 321.32 0.00e+00 6.942030e-03 5.632616e-04 7.306885e-03 -6.000000e+00 1.634772e-02 280.02 -2.00 20.00 -2.00 320.80 0.00e+00 5.791 0.003 302.00 328.00 3 9.7417e-01 3.7747e-03 7.6440e-02 -6.0000e+00 9.0030e-01 2.6751e-01 5.2102e-03 5.5423e-02 -6.0000e+00 9.8081e-01 -4.2337e-01 5.2287e-03 3.0419e-02 -6.0000e+00 5.8589e-01 1.6933e-01 2.4537e-03 9.8711e-03 -6.0000e+00 2.4495e-01 2.9038e-04 -4.5748e-04 5.6938e-05 2.2882e-04 -6.0000e+00 1.9258e-02 1.0315e-02 -1.3139e-05 12 8 8 10 0 0 85.24 23.09 0.61 0.01032 0.00688 162 26 1 5 0 318.250 25.90 19.99 23.09 6.90 5.7 870.52 -290447 -187880 -175000 -176014 -187513 -212001 -155694 -195839 -183225 -172083 -145853 -162671 -141063 -124211 -91912 -66561 -76013 -51568 -66320 -74527 -31590 -29343 -49352 -33905 -49464 -31315 -72050 -49738 -62707 -28106 -20022 -27417 -6211 -18870 -16521 -7103 -7290 3317 8058 6709 3917 12211 7797 10322 7149 17401 9970 10587 7478 11069 9739 11496 14280 18160 15057 13444 6760 6022 2954 4560 3852 7506 7942 8503 8811 6765 5988 4069 4431 6520 4079 6049 3077 816 589 -2682 -2926 -3680 -2751 -2013 -931 -1466 -1433 -1058 -1445 439 227 1643 837 90 36 -1590 -2497 -2734 -2430 -1187 100 -237 123 -951 -1591 -2242 -2114 -1622 -2185 -2105 -1472 -444 252 1012 1288 451 7 -462 -679 -199 -404 368 764 779 1067 1390 1750 1110 888 99 88 -433 538 379 142 -137 -321 -100 -152 -59 301 398 72 310 -562 -738 -906 -7949 -2199 -1954 -1965 -2195 -3054 -1318 -2680 -2408 -2169 -1523 -2343 -2108 -2080 -1584 -1094 -1596 -950 -1537 -1963 -551 -500 -1056 -658 -1185 -651 -2283 -1251 -1838 -651 -519 -934 -199 -740 -628 -246 -274 131 364 363 246 764 539 720 527 1192 764 849 662 1033 1030 1341 1790 2385 2168 2045 1121 997 491 739 654 1360 1639 1969 2173 1724 1563 1142 1373 2242 1429 2373 1111 311 204 -873 -913 -1209 -1023 -807 -435 -790 -852 -671 -981 310 168 1226 626 65 24 -1049 -1647 -1921 -1938 -1005 98 -266 138 -1074 -1843 -2371 -2063 -1570 -2242 -2288 -1699 -510 320 1446 1896 713 12 -729 -1034 -295 -607 573 1241 1292 1733 2162 2613 1732 1341 147 130 -641 896 669 277 -291 -680 -226 -364 -140 724 964 171 748 -1282 -1595 -1927 SS 20241130T131936.0Z 9100.555278 76 1 51.56 2 79.08 130.26 76.87 139.02 0.00 1 0.00 1 0 17 5.184e-01 1.174e-02 3.778e-02 1.308e-03 6.952774e-01 7.002423e-04 8.277661e-03 -6.000000e+00 3.047594e-01 223.32 -2.00 3.48 -2.00 320.83 0.00e+00 5.459706e-03 3.097166e-04 4.254894e-03 -6.000000e+00 1.360438e-02 280.02 -2.00 20.00 -2.00 320.27 0.00e+00 5.088 0.002 302.00 328.00 3 9.8731e-01 2.2223e-03 6.3728e-02 -6.0000e+00 7.4917e-01 1.1021e-01 2.9420e-03 4.1100e-02 -6.0000e+00 8.1618e-01 -1.9104e-01 2.8842e-03 2.3814e-02 -6.0000e+00 4.8754e-01 7.1980e-02 1.3995e-03 8.5631e-03 -6.0000e+00 2.0382e-01 6.1039e-04 -4.1347e-04 3.7480e-05 1.5240e-04 -6.0000e+00 1.6026e-02 1.0313e-02 -3.1031e-05 12 8 8 10 0 0 73.52 23.03 0.60 0.01031 0.00721 231 38 1 5 0 223.180 25.90 19.99 23.03 7.33 5.6 872.04 -238358 -190477 -121346 -162332 -155552 -181762 -149430 -179670 -138699 -136349 -144383 -112686 -102247 -92382 -79112 -52431 -54537 -26236 -37769 -34414 -16340 -31458 -39705 -34294 -33546 -32008 -41926 -43582 -35163 -26168 -20358 -16691 -9518 -13166 -15440 -10315 -11528 -1474 1482 1777 -1105 3779 3653 4556 3279 4744 4885 3901 3010 4991 5593 6369 7115 7809 5565 5116 2156 3643 477 1873 2692 4035 4980 5753 4914 3045 2760 1696 2513 2749 2741 2964 2034 12 -709 -1354 -2802 -3437 -2854 -2236 -1470 -2007 -1738 -1720 -1249 293 303 1147 1060 393 133 -826 -1437 -1867 -1207 -516 314 472 245 -642 -1306 -1632 -1763 -1309 -1655 -1523 -949 -312 595 1002 1122 554 266 -115 -357 -174 -126 31 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