File name: Pandora75s1_EssexMD_20240720_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T115733.3Z 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_20240720_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: 20240720 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 20240720T110330.5Z 8967.460769 186 1 52.35 2 78.81 72.56 115.77 253.83 0.00 1 0.00 1 0 17 4.443e-01 1.326e-02 1.233e-01 3.735e-03 6.386361e-01 2.104958e-03 7.644921e-03 -6.000000e+00 2.729078e-01 232.58 -2.00 3.48 -2.00 320.94 0.00e+00 -6.666842e-04 9.862363e-04 5.449542e-03 -6.000000e+00 1.303446e-02 290.60 -2.00 20.00 -2.00 320.25 0.00e+00 4.971 0.002 302.00 328.00 3 3.0197e+00 7.1468e-03 6.6693e-02 -6.0000e+00 6.8436e-01 3.6928e-02 9.5229e-03 5.1711e-02 -6.0000e+00 7.3969e-01 -1.1969e-01 8.7015e-03 1.8774e-02 -6.0000e+00 4.3908e-01 4.3929e-02 4.1549e-03 6.2015e-03 -6.0000e+00 1.8284e-01 9.6000e-05 9.1921e-05 1.1528e-04 7.7564e-05 -6.0000e+00 1.4038e-02 3.8170e-03 4.5242e-05 12 8 8 10 0 0 97.42 23.82 0.96 0.00382 0.00451 33 5 1 5 0 1586.190 26.51 20.01 23.82 33.70 4.4 1049.24 -215465 -123375 900000 900000 -182514 -140323 900000 -63139 -209307 900000 -180039 -124262 -82638 900000 -68670 -75578 -31594 23701 -42002 -61091 38837 -10303 50352 -52489 -17452 30421 -35279 -53673 -35601 84787 -8542 19014 6176 -12874 16759 7231 -291 -5068 18354 12810 4208 18448 17670 5085 -608 7700 3615 -362 -3046 11657 2782 -1928 8815 15370 9280 11867 -865 3617 -1296 2064 645 7945 1700 1388 2766 -605 1348 -444 4771 1074 2720 6807 -1525 -1984 618 1615 -2352 -103 -2860 -4154 -2023 -2532 -2219 -51 -1371 -1025 691 2031 504 93 -805 -2586 -236 -297 -1414 158 274 -422 389 508 -1602 -2208 -1448 -1413 -1948 -1631 -1150 736 801 1085 1775 900 248 -362 -569 755 306 -408 567 464 425 660 895 605 291 -587 -382 633 373 -348 -158 -790 -1096 -396 125 -8 276 671 -16 633 -73 -365 -669 -3493 -939 900000 900000 -2597 -1300 900000 -334 -5471 900000 -4229 -1891 -1113 900000 -1250 -1760 -540 259 -963 -1801 438 -195 550 -1757 -451 520 -1194 -2149 -1179 895 -264 526 223 -604 586 282 -13 -291 1022 904 369 1524 1550 520 -67 793 396 -43 -386 1370 396 -321 1456 2595 1783 2337 -200 803 -297 454 149 1856 475 430 889 -200 436 -152 1707 453 1130 2847 -690 -859 264 621 -887 -38 -1219 -1905 -1057 -1513 -1454 -35 -1025 -814 567 1689 425 76 -624 -1921 -166 -217 -1159 146 268 -469 462 601 -1831 -2331 -1422 -1398 -2054 -1818 -1355 916 1092 1511 2684 1441 400 -569 -854 1083 444 -624 905 766 699 1053 1376 899 417 -820 -526 907 595 -622 -287 -1536 -2258 -804 269 -19 637 1567 -36 1408 -155 -742 -1438 SS 20240720T110915.7Z 8967.464765 189 1 51.54 2 77.75 73.40 116.79 254.57 0.00 1 0.00 1 0 17 3.400e-01 9.901e-03 1.141e-01 2.724e-03 5.922937e-01 1.498867e-03 7.026230e-03 -6.000000e+00 2.084716e-01 232.57 -2.00 3.48 -2.00 320.68 0.00e+00 2.728255e-03 6.385242e-04 3.770740e-03 -6.000000e+00 9.498066e-03 290.60 -2.00 20.00 -2.00 319.94 0.00e+00 4.572 0.002 302.00 328.00 3 2.8447e+00 4.8697e-03 5.7849e-02 -6.0000e+00 5.2181e-01 1.4094e-02 6.2652e-03 3.8326e-02 -6.0000e+00 5.6360e-01 -6.3637e-02 5.5539e-03 1.7755e-02 -6.0000e+00 3.3545e-01 1.5858e-02 2.7201e-03 4.2966e-03 -6.0000e+00 1.3920e-01 1.7264e-04 5.1671e-05 8.4066e-05 8.8578e-05 -6.0000e+00 1.0614e-02 4.7945e-03 1.4507e-05 12 8 8 10 0 0 92.37 23.82 0.66 0.00479 0.00518 62 10 1 5 0 831.210 26.51 20.00 23.82 34.00 4.4 1051.82 -158209 -125290 900000 87281 -137474 -122842 900000 -97989 -141611 -30367 -99504 -89122 -46128 -58211 -39268 -61337 -33557 -25347 -46949 -55226 33084 20076 -2298 -23445 -16652 8419 -34503 -22475 -13004 824 -6485 -33276 -8367 -9722 -6713 3131 7433 284 8475 2545 731 7381 2507 6425 -1628 5288 4410 3562 1440 4366 1307 718 4169 9261 3071 4776 59 1320 -3251 639 1139 4859 3060 3333 2413 -4686 2927 -854 3205 1260 1703 3031 -279 -1484 -1402 -394 -859 -668 -2455 -2066 -1722 -1554 -1936 -1447 -1403 556 624 1569 1149 437 772 -1419 -365 -990 -1384 112 263 116 555 -85 -1268 -1451 -1351 -550 -1662 -1072 -765 -149 662 944 1523 552 424 -274 -528 394 177 -139 402 551 355 411 779 469 175 -236 -464 176 178 -35 -378 -694 -735 -400 -179 218 339 805 142 419 -298 -328 -533 -2063 -1391 900000 232 -1792 -1364 900000 -1017 -2564 -218 -1533 -1396 -576 -1036 -720 -1678 -793 -613 -1534 -2083 536 379 -57 -772 -553 230 -1484 -848 -445 26 -257 -2024 -453 -573 -383 164 409 20 659 250 83 849 320 814 -228 708 609 511 220 693 236 145 891 2041 766 1223 16 361 -917 173 319 1434 1030 1235 857 -1769 1116 -318 1253 568 840 1546 -147 -751 -654 -166 -375 -294 -1105 -1078 -1038 -1059 -1451 -1059 -1099 455 537 1375 1009 373 616 -1087 -292 -819 -1163 106 286 131 670 -104 -1469 -1676 -1465 -597 -1936 -1216 -918 -190 918 1337 2332 891 683 -428 -786 561 255 -210 637 903 582 656 1198 696 269 -352 -683 271 280 -61 -672 -1317 -1468 -845 -375 477 762 1829 323 914 -622 -698 -1121 SS 20240720T111851.3Z 8967.471427 195 1 52.84 2 75.97 74.81 118.49 255.81 0.00 1 0.00 1 0 17 3.451e-01 2.289e-02 1.474e-01 6.880e-03 5.349388e-01 3.866450e-03 6.137166e-03 -6.000000e+00 2.149236e-01 232.57 -2.00 3.48 -2.00 320.50 0.00e+00 -1.004196e-03 1.523036e-03 2.576477e-03 -6.000000e+00 1.053713e-02 290.60 -2.00 20.00 -2.00 319.74 0.00e+00 4.030 0.001 302.00 328.00 3 4.8804e+00 1.2247e-02 5.0975e-02 -6.0000e+00 5.3956e-01 7.8598e-02 1.5441e-02 3.3586e-02 -6.0000e+00 5.8459e-01 -6.2420e-02 1.3281e-02 1.4139e-02 -6.0000e+00 3.4348e-01 1.5044e-02 6.5688e-03 4.3982e-03 -6.0000e+00 1.4535e-01 3.8206e-05 7.6113e-04 2.2612e-04 5.0606e-05 -6.0000e+00 1.1201e-02 1.6201e-03 2.7614e-04 12 8 8 10 0 0 99.75 23.83 1.64 0.00162 0.00734 14 2 1 5 0 3773.920 26.51 20.01 23.83 34.45 4.4 1053.64 900000 900000 900000 900000 -92318 -134898 900000 900000 -157100 900000 -123273 10442 -35491 900000 -39659 -99962 -12592 28922 -5272 -11831 900000 229972 -5181 -19735 14992 10359 21343 -12497 7530 900000 -11350 -25115 15528 6158 51572 -3043 -4505 14228 30087 70803 -10933 42684 13959 15319 2107 18265 -2764 2993 3072 5638 8209 -2731 17481 23274 12722 16508 -6702 -1412 -4152 743 1508 14308 2328 1582 1874 -20245 3060 -3665 6247 -2087 -1075 11429 -3287 -1665 -2825 -754 -792 2293 -1087 -4959 -85 -2518 -3096 1824 -2167 -368 -273 2560 -944 1639 -692 -2594 744 -1211 -2006 1857 480 -1625 2430 3355 -872 -1273 -627 -1341 -3323 -3185 -2405 1989 641 1819 3079 711 416 64 -1303 3816 188 -1872 53 -234 846 -1415 1726 618 -328 -1811 320 2363 1642 -880 -272 -1296 -450 -915 31 -1011 -543 762 -110 908 284 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