File name: Pandora75s1_EssexMD_20241019_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T192118.2Z 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_20241019_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: 20241019 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 20241019T115247.4Z 9058.494993 256 1 51.41 2 84.80 107.80 68.22 281.52 0.00 1 0.00 1 0 25 8.631e-01 7.684e-02 3.818e-01 2.854e-02 8.418152e-01 1.665405e-02 1.007010e-02 -6.000000e+00 5.416489e-01 225.77 -2.00 3.48 -2.00 321.88 0.00e+00 1.376864e-02 6.475932e-03 3.832615e-03 -6.000000e+00 2.553932e-02 284.87 -2.00 20.00 -2.00 321.32 0.00e+00 9.533 0.015 302.00 328.00 3 8.3225e-01 5.7353e-02 1.0442e-01 -6.0000e+00 1.3375e+00 2.0125e+00 6.6602e-02 4.1884e-02 -6.0000e+00 1.4624e+00 -2.2529e+00 3.1788e-02 2.0551e-02 -6.0000e+00 8.6894e-01 8.1428e-01 1.7865e-02 1.0780e-02 -6.0000e+00 3.6067e-01 6.1881e-06 2.6013e-03 8.8505e-04 2.8481e-04 -6.0000e+00 2.8562e-02 1.5870e-02 -3.0570e-04 12 9 8 11 8 0 -12.47 23.21 2.76 0.01587 0.03542 15 2 1 5 0 3426.840 26.00 20.00 23.21 16.52 5.5 933.09 -13883 193662 900000 289475 60458 1438 900000 80862 -31683 188797 56480 900000 208510 900000 900000 139534 82969 102661 900000 100056 157771 900000 220684 282316 58343 35576 25957 -64749 41374 900000 183031 49324 164447 10213 900000 900000 14505 7175 900000 900000 103465 900000 402169 159689 -11115 155017 900000 18828 64257 900000 99787 43654 170961 900000 165638 900000 63487 -4451 16217 -2447 39167 900000 76198 3444 29043 -85911 44805 -13723 174369 51850 12516 111918 2506 -10969 -472 45498 22831 118341 14452 -33941 4588 392 33815 36065 6258 9087 -1929 11180 11792 26292 4989 -17396 22639 -17594 -5415 34503 20013 -4723 12903 7267 -764 -11753 -3718 3159 -15618 -7295 3010 -483 3624 9337 17532 1632 -1143 -5043 -1202 10090 3542 -4745 -3968 -2849 3578 1103 816 2862 -2402 -7623 3507 -13278 9848 1052 2570 -3150 793 1622 -1545 -2231 -3242 3742 -3300 5629 203 2601 -1103 -5390 9399 900000 8028 6567 233 900000 4672 -5125 5236 3560 900000 5782 900000 900000 7387 7949 8023 900000 7063 5569 900000 6120 7829 3824 2691 1963 -11100 2399 900000 5076 3730 4560 1159 900000 900000 1353 778 900000 900000 5217 900000 11153 4428 -1653 4299 900000 2041 4536 900000 5535 4512 5172 900000 5429 900000 5986 -707 2159 -380 4127 900000 6762 688 4591 -42170 5964 -3425 7253 8052 3020 9932 625 -2829 -97 5299 3229 6892 2765 -12519 1336 134 8909 9802 2412 3553 -866 4434 4546 8312 1826 -7622 6718 -8538 -2703 13683 10767 -3693 8982 5260 -555 -8605 -2351 1892 -11954 -5462 2195 -403 3296 9166 17648 2041 -1487 -6685 -1490 11109 4303 -6605 -5744 -4125 4733 1438 1032 3436 -2957 -9725 4105 -20400 13874 1847 4932 -6937 1804 3932 -4116 -6223 -8477 10088 -9316 13736 490 5806 -2550 SS 20241019T120430.6Z 9058.503132 259 1 51.42 2 82.66 109.73 70.34 283.15 0.00 1 0.00 1 0 17 4.589e-01 2.546e-02 1.720e-01 5.180e-03 7.725386e-01 2.884857e-03 1.062552e-02 -6.000000e+00 2.722021e-01 225.77 -2.00 3.48 -2.00 321.82 0.00e+00 1.390363e-02 1.675379e-03 1.155803e-02 -6.000000e+00 1.245480e-02 284.87 -2.00 20.00 -2.00 321.29 0.00e+00 7.228 0.007 302.00 328.00 3 1.0367e+00 1.1076e-02 9.6739e-02 -6.0000e+00 6.7170e-01 7.5109e-01 1.4287e-02 6.9803e-02 -6.0000e+00 7.3001e-01 -1.1000e+00 1.1524e-02 3.2426e-02 -6.0000e+00 4.3674e-01 4.5339e-01 5.3349e-03 9.2293e-03 -6.0000e+00 1.8307e-01 6.6741e-05 -5.1562e-04 1.5149e-04 3.5319e-04 -6.0000e+00 1.4217e-02 1.2304e-02 -6.4031e-05 12 8 8 10 0 0 97.81 23.21 1.03 0.01230 0.00843 63 10 1 5 0 816.010 26.00 20.00 23.21 17.58 5.5 941.56 -189165 -83519 900000 -48341 -66319 -133116 154313 -101653 -111320 -92705 -96057 -47603 -4781 -12936 -42220 -2336 -28317 62966 30727 18673 249725 29220 68705 3595 -6739 -16656 -36787 -58335 3584 39353 40646 -1628 68561 12446 18319 101736 28121 28741 56727 49541 24836 66128 65075 44251 22415 53453 63242 23681 39706 58118 45107 13406 43740 68151 43935 48492 27481 22777 9560 18902 17481 25131 21589 21670 26682 -1704 20208 7328 21733 13972 13087 16275 4444 -3021 4935 -1429 158 3255 -3959 -5173 -3609 -217 -1224 -588 -2985 1073 -949 1273 1017 -3212 38 -5561 -1699 -5000 -4666 -2343 -337 -1870 216 -1583 -2400 -3904 -3764 -3242 -4067 -2818 -2887 -727 -1059 643 2056 -300 -486 -1834 -1299 -1099 -406 -855 1647 1288 2899 2685 3231 2441 1545 267 808 -1128 915 949 665 294 603 -254 -166 -27 383 717 -621 296 -735 -793 -2164 -13462 -2339 900000 -910 -1309 -4584 779 -2380 -2862 -1958 -2117 -721 -59 -226 -1241 -55 -962 925 649 446 1261 577 883 87 -179 -482 -1267 -2411 89 755 924 -67 1593 528 703 1644 994 1132 1948 2077 1455 2705 2794 2391 1528 2727 3002 1734 2607 3405 3303 1483 3866 5025 4283 4580 3192 2703 1250 2224 2172 3198 3238 3634 4501 -383 3674 1584 4467 3486 3569 4422 1324 -903 1234 -344 36 750 -1124 -1776 -1436 -95 -596 -304 -1684 615 -580 779 621 -1970 21 -3123 -910 -2952 -3139 -1652 -274 -1771 217 -1622 -2335 -3506 -3132 -2687 -3594 -2616 -2878 -776 -1271 862 2775 -442 -728 -2727 -1855 -1537 -576 -1280 2531 2035 4440 3974 5012 3689 2279 389 1174 -1653 1496 1761 1371 606 1322 -600 -419 -72 1024 1929 -1669 750 -1767 -1803 -4904 SS 20241019T121459.9Z 9058.510416 262 1 51.66 2 80.76 111.50 72.22 284.60 0.00 1 0.00 1 0 17 5.235e-01 1.313e-02 5.972e-02 1.931e-03 6.834302e-01 1.052248e-03 8.643498e-03 -6.000000e+00 3.105409e-01 225.77 -2.00 3.48 -2.00 321.10 0.00e+00 4.869893e-03 5.136807e-04 6.674489e-03 -6.000000e+00 1.401498e-02 284.86 -2.00 20.00 -2.00 320.50 0.00e+00 5.915 0.004 302.00 328.00 3 8.6302e-01 3.5672e-03 7.4873e-02 -6.0000e+00 7.6633e-01 1.5895e-01 4.7703e-03 5.2451e-02 -6.0000e+00 8.3281e-01 -2.5759e-01 4.5185e-03 2.5038e-02 -6.0000e+00 4.9802e-01 9.8928e-02 2.1466e-03 6.2473e-03 -6.0000e+00 2.0811e-01 3.2592e-04 -1.2612e-04 5.6765e-05 1.6935e-04 -6.0000e+00 1.6197e-02 1.1930e-02 -3.2324e-05 12 8 8 10 0 0 56.92 23.21 0.72 0.01193 0.01098 168 27 1 5 0 307.450 26.00 20.00 23.21 18.98 5.5 949.71 -259990 -169835 -100608 -150961 -165927 -197677 -123308 -170265 -147234 -150990 -129146 -128209 -101295 -113414 -80595 -59554 -54071 -44152 -37710 -48686 -19818 -31503 -16826 -27467 -37813 -28905 -51438 -36979 -31685 -5610 -20733 -25298 4166 -13007 -16535 -8405 -7757 -8687 7861 4660 4325 9639 10288 10526 1950 12720 4119 4091 4725 11351 7732 9364 8708 11678 8170 9028 3191 2832 2720 1340 3360 4925 7032 6888 4830 746 3521 1719 3262 4184 3968 3989 2204 373 325 -2360 -2612 -2392 -4004 -3722 -1991 -1975 -1663 -871 -514 257 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