File name: Pandora75s1_EssexMD_20250418_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250419T050905.2Z 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 v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250418_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: 20250418 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 20250418T110457.2Z 9239.461773 218 1 51.95 2 83.11 81.40 73.81 205.86 0.00 1 0.00 1 0 17 8.241e-01 3.058e-02 3.515e-01 8.872e-03 9.150717e-01 5.199515e-03 1.150538e-02 -6.000000e+00 4.970755e-01 229.01 -2.00 3.48 -2.00 322.23 0.00e+00 1.450509e-02 3.187426e-03 1.193886e-02 -6.000000e+00 2.326946e-02 281.71 -2.00 20.00 -2.00 321.78 0.00e+00 7.627 0.008 302.00 328.00 3 1.1609e+00 2.0983e-02 1.0409e-01 -6.0000e+00 1.2413e+00 1.3421e+00 2.5402e-02 6.9338e-02 -6.0000e+00 1.3495e+00 -1.8672e+00 1.7792e-02 3.0446e-02 -6.0000e+00 8.0010e-01 7.5245e-01 8.5281e-03 9.4305e-03 -6.0000e+00 3.3232e-01 3.0386e-05 -3.6514e-04 2.5300e-04 4.5176e-04 -6.0000e+00 2.5907e-02 1.0549e-02 2.0103e-05 12 8 8 10 0 0 1.29 23.64 1.15 0.01055 0.00781 43 7 1 5 0 1208.000 26.32 20.00 23.64 14.21 6.1 934.87 -103940 77973 900000 900000 9844 4009 -26271 -17819 27226 900000 212603 12907 212822 900000 176500 146989 20414 129126 110386 -10463 192645 208058 73358 112945 90612 21162 -18064 -35847 -35105 155388 104150 7792 900000 38090 55222 153663 147870 120922 168404 186314 41696 134866 223933 454102 47287 100916 50668 73138 58668 198847 70666 21823 86470 166316 96100 109092 44027 31707 20568 18162 10873 67037 39730 38718 33659 23240 56140 17103 46011 22639 24787 37690 10441 -10236 14928 5027 12780 35654 -3747 -13146 2358 -853 2411 6492 2177 8508 -1129 -792 5071 -6096 -1021 -13901 -2461 -9367 -5924 -389 -1326 -5852 380 -691 -1513 -3202 -4664 -4803 -5542 -3812 -3102 -1788 -1368 -799 4234 443 -2543 -2646 -1450 1964 -872 -1294 357 946 3401 3708 4353 1195 3286 -1217 2554 -3370 3720 2076 770 776 -347 -660 -327 -340 339 855 13 441 -934 -1068 -2089 -11530 1516 900000 900000 294 107 -846 -490 449 900000 1838 243 1840 900000 1526 1617 866 1928 1995 -608 1665 1798 1441 1420 1353 599 -710 -1577 -1517 1343 1473 343 900000 1407 1606 1570 1627 1900 1853 2094 1933 2798 1936 3925 2371 2966 2496 2971 2891 2578 3604 1981 4410 4025 4818 4809 3653 2850 1956 1711 1128 4346 3846 4250 4131 3194 5629 2661 5886 4090 4714 6418 2247 -2486 2516 839 1889 4438 -803 -3738 681 -292 880 2424 900 3471 -527 -375 2244 -2898 -434 -6428 -1019 -4502 -3195 -238 -972 -5200 315 -583 -1332 -2591 -3512 -3587 -4388 -3153 -2743 -1722 -1355 -907 5180 609 -3708 -3832 -2024 2618 -1224 -1918 546 1466 5019 5221 5860 1606 4199 -1594 3253 -4975 5922 3877 1635 1650 -805 -1649 -870 -945 952 2406 35 1155 -2303 -2466 -4762 SS 20250418T111528.0Z 9239.469073 221 1 51.70 2 81.09 83.03 74.70 207.99 0.00 1 0.00 1 0 17 5.645e-01 1.917e-02 1.243e-01 2.825e-03 7.990826e-01 1.582585e-03 1.057582e-02 -6.000000e+00 3.388906e-01 229.01 -2.00 3.48 -2.00 321.59 0.00e+00 1.071969e-02 8.611480e-04 1.017502e-02 -6.000000e+00 1.491632e-02 281.71 -2.00 20.00 -2.00 321.08 0.00e+00 6.113 0.004 302.00 328.00 3 1.0989e+00 5.7089e-03 8.6277e-02 -6.0000e+00 8.4361e-01 4.3072e-01 7.8419e-03 6.7384e-02 -6.0000e+00 9.1513e-01 -6.5793e-01 7.5525e-03 3.5510e-02 -6.0000e+00 5.4478e-01 2.6915e-01 3.4792e-03 1.1246e-02 -6.0000e+00 2.2546e-01 1.7496e-04 -5.5238e-04 8.0001e-05 3.2674e-04 -6.0000e+00 1.7478e-02 1.1113e-02 -3.5880e-05 12 8 8 10 0 0 21.82 23.65 0.73 0.01111 0.00696 118 19 1 5 0 438.120 26.41 20.00 23.65 15.60 6.1 945.46 -289043 -176670 105907 -121771 -190039 -109539 -173687 -193520 -180964 -125869 -166891 -128819 -118452 -117285 -55007 -67294 -74078 -46308 -24676 -74668 -2326 -28598 -7222 -29413 -28015 -24782 -67953 -47035 -67287 47561 -15707 -1105 14663 -12126 -10025 28566 19680 16602 48671 20884 24098 32491 39459 30510 10440 30429 23830 20753 13105 37972 21982 17295 21637 34873 18880 22570 14299 9115 6570 5105 7399 10930 15006 13733 13334 8310 9734 5431 8849 6665 7198 10098 3374 1057 -41 -1653 -1091 -344 -2212 -3068 -1245 -2156 -48 -1788 -621 207 213 178 672 -1078 -1094 -3533 -3486 -4611 -4128 -903 -307 -131 -284 -638 -2103 -2784 -2619 -2572 -2095 -2195 -1026 -725 536 386 1398 351 -466 -876 -954 29 -254 486 621 1401 1670 1477 1907 1265 1376 -191 942 -399 751 618 -90 -206 -70 -475 -50 -113 393 608 -81 369 -635 -660 -1510 -11871 -2787 292 -1159 -3284 -796 -2392 -3393 -2946 -1229 -2591 -1581 -1691 -2203 -716 -1213 -1651 -870 -402 -2076 -35 -544 -111 -583 -563 -492 -2078 -1153 -2076 524 -398 -30 388 -448 -356 685 553 553 1394 920 1148 1531 1826 1597 685 1685 1464 1384 1007 2479 1877 1730 2277 3478 2330 2767 1926 1276 918 717 1060 1677 2530 2644 2751 1824 2140 1314 2289 1994 2338 3299 1155 346 -12 -459 -288 -94 -711 -1192 -561 -1022 -24 -996 -365 128 138 117 440 -692 -661 -2080 -2035 -2901 -2952 -737 -293 -131 -308 -697 -2196 -2656 -2516 -2463 -2106 -2148 -1062 -817 667 546 2013 545 -740 -1369 -1439 42 -380 753 1010 2311 2698 2298 2845 1832 2082 -286 1394 -594 1259 1094 -178 -441 -149 -1085 -122 -287 1013 1579 -208 900 -1465 -1437 -3257 SS 20250418T112716.0Z 9239.477269 226 1 51.65 2 78.82 84.85 75.78 210.33 0.00 1 0.00 1 0 17 4.984e-01 1.146e-02 3.666e-02 1.231e-03 6.838099e-01 6.694895e-04 8.219614e-03 -6.000000e+00 2.992653e-01 229.01 -2.00 3.48 -2.00 320.81 0.00e+00 4.623041e-03 2.912821e-04 4.749690e-03 -6.000000e+00 1.316953e-02 281.71 -2.00 20.00 -2.00 320.22 0.00e+00 4.978 0.002 302.00 328.00 3 9.2922e-01 2.1282e-03 6.4079e-02 -6.0000e+00 7.4497e-01 9.8909e-02 2.7914e-03 4.3322e-02 -6.0000e+00 8.0807e-01 -1.7376e-01 2.6826e-03 2.3616e-02 -6.0000e+00 4.8105e-01 6.3310e-02 1.3001e-03 7.5534e-03 -6.0000e+00 1.9913e-01 7.1009e-04 -1.4577e-04 3.5753e-05 1.4903e-04 -6.0000e+00 1.5431e-02 1.0228e-02 -1.4260e-05 12 8 8 10 0 0 28.52 23.65 0.57 0.01023 0.00913 263 43 1 5 0 196.360 26.32 20.00 23.65 17.40 6.1 957.75 -231521 -189224 -103445 -141225 -148616 -181927 -151787 -163294 -148310 -120683 -118570 -122255 -109380 -81077 -80200 -47087 -63048 -37676 -34316 -44599 -28439 -30868 -18385 -37797 -27475 -29608 -35012 -36794 -35651 -25251 -22872 -17305 -6106 -9387 -12710 -6550 -10608 -3311 3198 453 437 3722 1477 3776 3625 4458 6184 2349 4011 5686 3367 4488 4940 8360 5560 5826 3291 2046 52 1167 2315 3786 6262 5091 3563 2750 2591 1032 2894 2855 2661 2646 1488 -179 -753 -2400 -2961 -2145 -3385 -2515 -1331 -1748 -1619 -1370 -594 -159 668 1275 1212 570 323 -1287 -1483 -1866 -1361 -444 171 486 133 -509 -1345 -1853 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