File name: Pandora75s1_EssexMD_20240516_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T064408.9Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240516_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: 20240516 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 20240516T103410.0Z 8902.440394 121 1 51.82 2 83.14 70.67 125.12 332.73 0.00 1 0.00 1 0 17 4.833e-01 2.120e-02 1.882e-01 5.200e-03 9.416412e-01 3.024387e-03 1.049670e-02 -6.000000e+00 2.929223e-01 231.29 -2.00 3.48 -2.00 322.17 0.00e+00 7.763075e-03 1.916548e-03 5.950473e-03 -6.000000e+00 1.359185e-02 284.79 -2.00 20.00 -2.00 321.69 0.00e+00 7.647 0.008 302.00 328.00 3 3.3979e-01 1.2578e-02 9.5395e-02 -6.0000e+00 7.3245e-01 1.0273e+00 1.7070e-02 5.8000e-02 -6.0000e+00 7.9258e-01 -1.3734e+00 1.4664e-02 3.1220e-02 -6.0000e+00 4.7202e-01 5.4121e-01 6.5740e-03 1.1100e-02 -6.0000e+00 1.9632e-01 6.9631e-05 -5.6644e-04 1.4389e-04 2.7574e-04 -6.0000e+00 1.5003e-02 3.3463e-03 -6.6358e-05 12 9 8 11 8 0 41.44 23.53 0.93 0.00335 -0.00091 83 14 1 5 0 624.330 26.21 20.00 23.53 22.09 4.2 981.19 -153701 -135257 900000 87634 45337 -157965 -113553 -170997 -170791 -118329 -118464 900000 -119581 -58966 -67763 -24175 -51560 -33300 -54312 -64333 -2437 -12564 -19255 8574 -59660 -36419 -67685 -54917 -13093 60900 -15587 -30461 24744 7293 -13328 126290 64622 29478 116294 51905 24038 46575 52418 26281 19606 16340 38675 79903 32354 51810 33447 45144 34359 95841 51264 64994 19692 35084 18978 9153 21891 25275 23520 22467 25950 9801 22870 12300 24637 20143 15448 20348 11075 5121 9460 9788 -1405 8444 -5733 -8958 -4968 -1512 -1088 281 11 3490 412 5062 4143 -2931 -781 -406 -1772 -3847 -6022 -1898 538 -493 -82 -1179 -2425 -4616 -3377 -2466 -5154 -4571 -2527 -1680 -1462 -259 2368 -809 -937 -955 -1226 -737 -616 -315 74 672 2015 2537 1946 1918 984 1020 1356 530 1291 569 255 155 -332 -285 73 135 563 993 -199 138 -706 -830 -2107 -4462 -3677 900000 444 230 -4004 -1779 -4807 -4879 -2017 -2074 900000 -2976 -1033 -1624 -446 -1402 -813 -1702 -2223 -44 -237 -382 130 -1814 -873 -2152 -1468 -229 561 -373 -1025 547 202 -436 1088 1081 792 1533 1500 1011 1653 1807 1186 944 820 1588 2268 1574 2259 1950 2609 2421 3935 3456 3920 1877 2792 1693 872 1875 2293 2480 2710 3249 1470 3084 1958 3846 3716 3250 4198 2436 1106 1755 1627 -250 1438 -1305 -2547 -1617 -549 -437 119 5 1611 204 2443 2001 -1462 -360 -178 -792 -1901 -3528 -1274 381 -409 -74 -1088 -2138 -3760 -2487 -1775 -4002 -3747 -2180 -1582 -1557 -314 3179 -1217 -1337 -1354 -1855 -1094 -931 -457 112 1029 2967 3875 2870 2734 1373 1391 1856 796 2040 1046 529 354 -757 -700 191 370 1568 2774 -552 361 -1733 -1907 -4783 SS 20240516T104535.3Z 8902.448325 124 1 51.80 2 81.04 72.39 126.08 335.82 0.00 1 0.00 1 0 17 6.793e-01 1.537e-02 5.640e-02 1.763e-03 8.096717e-01 9.927650e-04 1.003594e-02 -6.000000e+00 4.117659e-01 231.29 -2.00 3.48 -2.00 321.42 0.00e+00 5.103594e-03 5.270209e-04 8.340360e-03 -6.000000e+00 1.818289e-02 284.79 -2.00 20.00 -2.00 320.85 0.00e+00 6.078 0.004 302.00 328.00 3 2.8873e-01 3.5332e-03 8.3890e-02 -6.0000e+00 1.0297e+00 3.3130e-01 4.9074e-03 6.5489e-02 -6.0000e+00 1.1140e+00 -4.7669e-01 4.7525e-03 3.1128e-02 -6.0000e+00 6.6319e-01 1.8830e-01 2.1948e-03 7.6404e-03 -6.0000e+00 2.7446e-01 4.0655e-04 -1.5770e-04 4.8964e-05 2.1615e-04 -6.0000e+00 2.1045e-02 2.3322e-03 -2.5930e-05 12 9 8 11 8 0 9.40 23.53 0.61 0.00233 0.00115 238 39 1 5 0 216.690 26.21 20.00 23.53 22.87 4.2 987.17 -261765 -218302 -137090 -186961 -219603 -228458 -225535 -201502 -204873 -193890 -166035 -148294 -150031 -162687 -108739 -104487 -79852 -74584 -72764 -81360 -55585 -50617 -59578 -49638 -70749 -36223 -79850 -54917 -59594 -47104 -29341 -38824 -2524 -19643 -17559 -22190 2701 -17321 12012 7273 11391 13853 11328 14757 7609 20066 6376 14848 5902 16227 7273 10838 13013 19296 16156 12155 9977 5957 7240 2957 7327 6193 10377 10290 7302 6992 5066 6532 5777 7062 5457 7278 2479 2042 951 -1647 -2100 -2755 -3311 -3280 -1419 -1925 -1542 -1462 -238 354 996 1587 1171 455 -770 -1403 -2806 -2517 -2831 -903 -411 -54 381 -1115 -1529 -2660 -1932 -1934 -2297 -1749 -1015 -577 215 905 755 591 -168 -454 -1053 -327 -356 323 599 860 1261 1446 1781 1142 915 64 134 318 311 126 -84 -296 -324 -58 -103 143 522 648 142 68 -550 -737 -1130 -4501 -2900 -879 -1958 -2986 -3285 -3279 -2520 -2914 -2667 -1869 -1623 -2134 -3458 -1734 -1960 -1497 -1488 -1551 -1986 -1070 -931 -1239 -999 -1873 -710 -2458 -1303 -1506 -1166 -737 -1308 -69 -689 -601 -797 82 -753 471 355 605 779 689 896 506 1211 457 1029 479 1300 715 1159 1510 2299 2122 1737 1492 923 1079 454 1115 1051 1929 2162 1694 1652 1242 1669 1652 2267 1955 2669 940 731 313 -505 -617 -849 -1170 -1260 -632 -992 -877 -892 -153 241 704 1142 842 318 -513 -895 -1797 -1707 -2192 -739 -393 -59 414 -1238 -1743 -2788 -1856 -1847 -2320 -1864 -1146 -652 269 1275 1104 924 -270 -718 -1614 -486 -537 506 980 1435 2061 2269 2678 1666 1390 95 199 469 521 224 -166 -635 -696 -132 -238 345 1279 1604 348 158 -1288 -1632 -2459 SS 20240516T105747.3Z 8902.456798 129 1 51.62 2 78.78 74.20 126.99 339.22 0.00 1 0.00 1 0 17 5.047e-01 1.134e-02 2.354e-02 8.634e-04 6.943986e-01 4.741487e-04 8.373035e-03 -6.000000e+00 3.059744e-01 231.29 -2.00 3.48 -2.00 320.71 0.00e+00 3.787903e-03 2.031254e-04 4.747895e-03 -6.000000e+00 1.351015e-02 284.79 -2.00 20.00 -2.00 320.07 0.00e+00 4.959 0.002 302.00 328.00 3 2.4629e-01 1.5005e-03 6.4654e-02 -6.0000e+00 7.6516e-01 1.1489e-01 1.9468e-03 4.4454e-02 -6.0000e+00 8.2776e-01 -1.6911e-01 1.8177e-03 2.2403e-02 -6.0000e+00 4.9279e-01 6.1105e-02 8.8429e-04 6.2306e-03 -6.0000e+00 2.0397e-01 1.3903e-03 -1.7081e-05 2.4681e-05 1.2928e-04 -6.0000e+00 1.5636e-02 1.7561e-03 -1.0529e-05 12 8 8 10 0 0 37.38 23.53 0.49 0.00176 0.00163 455 74 1 5 0 113.430 26.32 20.01 23.53 23.75 4.2 992.33 -184560 -173367 -139838 -153711 -161350 -179893 -167108 -166717 -158327 -136529 -132922 -122266 -107288 -92719 -69969 -61421 -44751 -49564 -38053 -46609 -29483 -38808 -35891 -30712 -29835 -25048 -35811 -33015 -31965 -19975 -21947 -15706 -8310 -10654 -14603 -10990 -10155 -6119 923 962 2192 3413 3607 3008 2224 3259 3572 2717 2965 4050 4167 5353 5188 6459 5073 4729 3742 2199 1947 1350 2518 3850 4913 4759 3570 2165 1498 903 2498 3382 2795 2477 1649 824 -455 -2208 -3029 -3408 -3000 -2302 -1412 -1569 -1623 -1788 -743 -19 709 1090 1051 666 220 -640 -1238 -1538 -1420 -647 198 489 159 -562 -1378 -1838 -1656 -998 -1260 -1291 -752 -365 538 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