File name: Pandora75s1_EssexMD_20240604_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T080914.0Z 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_20240604_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: 20240604 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 20240604T103518.9Z 8921.441191 108 1 51.16 2 81.24 68.00 61.87 87.65 0.00 1 0.00 1 0 17 5.554e-01 2.087e-02 2.207e-01 5.059e-03 8.354789e-01 2.932103e-03 1.051131e-02 -6.000000e+00 3.408319e-01 232.33 -2.00 3.48 -2.00 321.79 0.00e+00 7.684897e-03 1.713785e-03 1.071912e-02 -6.000000e+00 1.565103e-02 286.64 -2.00 20.00 -2.00 321.24 0.00e+00 6.201 0.004 302.00 328.00 3 1.9047e+00 1.1319e-02 9.2728e-02 -6.0000e+00 8.5305e-01 5.6644e-01 1.5537e-02 7.9141e-02 -6.0000e+00 9.2230e-01 -8.5114e-01 1.4067e-02 3.4023e-02 -6.0000e+00 5.4746e-01 3.4311e-01 6.3949e-03 7.1243e-03 -6.0000e+00 2.2670e-01 6.8526e-05 -5.6652e-04 1.4382e-04 2.6406e-04 -6.0000e+00 1.7561e-02 2.8096e-03 -4.6785e-05 12 8 8 10 0 0 36.59 23.42 0.81 0.00281 -0.00145 53 9 1 5 0 965.190 26.21 20.00 23.42 28.44 4.3 1022.06 -212683 -140140 900000 -65708 900000 -242139 900000 -215208 -208146 -123997 -23723 -64111 34353 900000 -100553 -99503 -75864 -29298 -94795 -69154 273836 84392 19384 -31431 -47151 -26368 -63547 -67695 -49729 20396 2007 -49268 45458 -6308 2572 43230 -7801 4558 43214 37096 15307 57843 17048 48751 -3435 52056 20273 21330 18776 9621 28368 4175 33573 47072 33831 39805 18341 11546 8263 4804 13582 14974 14645 19167 12717 11105 15927 12228 13392 13056 10369 17973 8503 -3604 1361 -778 2543 5173 -2295 -2712 -2088 -1096 -504 -1425 -1973 2514 69 2835 791 -1559 -1106 -1516 -1341 -5205 -4034 -1631 133 -1882 1055 -1525 -2396 -3359 -4099 -3424 -4208 -2455 -2293 -620 -871 478 1901 -169 -261 -296 -769 -16 -473 -285 528 1423 2268 1389 2245 1513 610 805 131 1070 1380 622 280 -82 -266 -385 -492 84 244 688 -180 594 -140 -862 -1724 -5242 -1947 900000 -442 900000 -8030 900000 -5690 -5410 -1445 -117 -488 169 900000 -2298 -2720 -1870 -499 -3314 -1922 1350 492 217 -606 -1099 -508 -1766 -1911 -1299 292 42 -2064 852 -211 77 852 -273 162 1236 1317 755 1996 924 1971 -237 2104 1159 1262 1213 740 2014 422 2781 3690 3202 3670 2125 1412 1010 597 1594 1905 2130 3005 2276 2047 2842 2387 2859 3167 2827 4714 2406 -1077 351 -185 558 1153 -630 -896 -811 -485 -246 -752 -1117 1442 38 1735 492 -957 -637 -834 -731 -3138 -2497 -1163 109 -1822 1080 -1616 -2420 -3112 -3526 -2902 -3785 -2304 -2299 -668 -1053 595 2614 -254 -403 -450 -1135 -23 -692 -436 841 2300 3573 2121 3270 2143 841 1080 176 1535 2249 1165 541 -173 -601 -934 -1182 210 625 1769 -459 1434 -344 -2001 -3947 SS 20240604T104903.3Z 8921.450733 113 1 51.78 2 78.76 70.01 59.26 89.67 0.00 1 0.00 1 0 17 5.029e-01 1.111e-02 8.624e-02 1.820e-03 7.041987e-01 1.007073e-03 8.571071e-03 -6.000000e+00 3.060755e-01 232.33 -2.00 3.48 -2.00 320.97 0.00e+00 3.169650e-03 4.698882e-04 5.873158e-03 -6.000000e+00 1.356752e-02 286.64 -2.00 20.00 -2.00 320.34 0.00e+00 4.952 0.002 302.00 328.00 3 1.6248e+00 3.3345e-03 6.7424e-02 -6.0000e+00 7.6691e-01 9.4454e-02 4.4711e-03 5.1075e-02 -6.0000e+00 8.2874e-01 -1.8521e-01 4.2739e-03 2.3787e-02 -6.0000e+00 4.9349e-01 6.6720e-02 2.0409e-03 5.6478e-03 -6.0000e+00 2.0421e-01 3.5849e-04 -1.9038e-05 5.2689e-05 1.2928e-04 -6.0000e+00 1.5587e-02 1.9419e-03 -1.4368e-05 12 9 8 11 8 0 21.33 23.42 0.62 0.00194 0.00180 145 24 1 5 0 357.060 26.21 20.00 23.42 29.85 4.2 1031.44 -212068 -197915 -74843 -151245 -46303 -206417 -116200 -187548 -159498 -148773 -117371 -120665 -112699 -95274 -90108 -74067 -58481 -39247 -53249 -50235 -19420 -36691 -40744 -40869 -35821 -38547 -40366 -39278 -40145 -13032 -16358 -30902 -3424 -17495 -27963 -11864 -19778 -7598 3016 3618 -226 5090 3820 7812 308 6872 3078 2450 3377 3484 4449 3163 5440 8562 5637 5929 2320 2531 -40 1324 2567 3168 4388 6158 3558 3038 2461 1699 3477 3127 3323 3760 1623 -671 -610 -2459 -2053 -3115 -3143 -2564 -2507 -1789 -1558 -565 -964 272 577 1395 1337 227 648 -895 -1402 -1571 -1009 -258 727 331 441 -492 -1754 -2073 -1861 -1520 -1448 -1428 -570 -471 389 1086 942 387 76 -327 -641 36 186 165 734 567 801 1009 1160 861 404 -185 -347 244 168 -174 -424 -645 -398 -176 25 -99 430 447 311 479 -371 -660 -682 -2567 -2491 -302 -1318 -135 -2931 -713 -2633 -1905 -1753 -1208 -1478 -1600 -1471 -1680 -1433 -1121 -697 -1191 -1159 -341 -782 -947 -1030 -928 -1088 -1189 -1137 -1183 -319 -491 -1289 -126 -801 -1425 -520 -1029 -413 179 256 -19 439 353 718 31 670 321 268 388 434 612 495 920 1534 1112 1222 510 556 -9 287 570 768 1190 1834 1153 994 814 593 1196 1226 1431 1687 738 -295 -247 -919 -796 -1252 -1289 -1233 -1411 -1143 -1094 -387 -708 210 466 1147 1096 182 485 -643 -991 -1162 -831 -244 731 380 545 -615 -2096 -2270 -1892 -1542 -1551 -1622 -683 -609 511 1584 1414 617 123 -515 -968 56 293 254 1177 937 1308 1591 1762 1354 614 -274 -509 377 272 -316 -797 -1301 -799 -376 56 -222 987 1038 715 1115 -822 -1393 -1415 SS 20240604T105512.9Z 8921.455010 116 1 51.57 2 77.64 70.90 58.09 90.59 0.00 1 0.00 1 0 17 4.135e-01 1.045e-02 3.302e-02 1.212e-03 6.513934e-01 6.632729e-04 7.738318e-03 -6.000000e+00 2.516385e-01 232.33 -2.00 3.48 -2.00 320.58 0.00e+00 2.873260e-03 2.746403e-04 4.077305e-03 -6.000000e+00 1.115489e-02 286.64 -2.00 20.00 -2.00 319.91 0.00e+00 4.536 0.002 302.00 328.00 3 1.3565e+00 2.0949e-03 5.9555e-02 -6.0000e+00 6.3051e-01 6.4150e-02 2.6660e-03 4.1052e-02 -6.0000e+00 6.8135e-01 -1.4031e-01 2.4011e-03 1.9698e-02 -6.0000e+00 4.0573e-01 4.9501e-02 1.1805e-03 5.0586e-03 -6.0000e+00 1.6789e-01 7.3247e-04 -1.2634e-04 3.5396e-05 1.0232e-04 -6.0000e+00 1.2816e-02 2.2419e-03 -1.6676e-05 12 8 8 10 0 0 21.48 23.43 0.53 0.00224 0.00129 226 37 1 5 0 228.140 26.21 20.00 23.43 30.34 4.1 1034.86 -176391 -140310 -84450 -132879 -112140 -160235 -131859 -145572 -137851 -105591 -116923 -83293 -88805 -67552 -50257 -46426 -35635 -37425 -37566 -34361 -14656 -31191 -24756 -23898 -15911 -22625 -30131 -25129 -30639 -11371 -14548 -10651 -10309 -8679 -14305 -5417 -11257 -3319 2056 2270 2456 2040 3159 1809 1224 1731 3811 2694 1965 2443 3202 3638 3419 6109 2992 5011 2341 2054 1109 1020 1956 3297 4329 4194 3346 1840 1600 504 1740 2504 2273 2560 1570 651 -702 -1360 -2882 -2295 -3065 -2080 -2185 -1650 -1861 -1425 -607 181 725 1447 1036 514 329 -417 -1227 -1451 -982 -487 276 420 153 -424 -1349 -1851 -1459 -1151 -1292 -1425 -689 -353 394 874 1019 467 172 -369 -580 -126 106 486 395 504 653 1118 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