File name: Pandora75s1_EssexMD_20250504_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250505T050716.2Z 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_20250504_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: 20250504 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 20250504T160709.5Z 9255.671638 300 1 50.83 2 26.12 148.45 93.88 61.87 0.00 1 0.00 1 0 17 9.773e-03 7.996e-03 1.397e-03 1.006e-03 1.623835e-01 5.405675e-04 1.921447e-03 -6.000000e+00 5.903141e-03 230.31 -2.00 3.48 -2.00 314.68 0.00e+00 5.897703e-04 4.406893e-05 6.479962e-05 -6.000000e+00 2.601691e-04 283.44 -2.00 20.00 -2.00 314.11 0.00e+00 1.113 0.000 302.00 328.00 3 5.1409e+00 1.3880e-03 1.3911e-02 -6.0000e+00 1.4733e-02 2.4284e-02 1.5376e-03 8.2240e-03 -6.0000e+00 1.5955e-02 -2.4057e-03 8.7741e-04 3.9798e-03 -6.0000e+00 9.4985e-03 -4.8637e-03 3.7335e-04 1.1087e-03 -6.0000e+00 3.9329e-03 8.7077e-04 2.0893e-04 3.1667e-05 1.6689e-05 -6.0000e+00 3.0270e-04 5.3542e-03 8.0643e-05 11 8 0 10 0 0 99.87 23.87 0.59 0.00535 0.00692 26 4 1 5 0 1954.940 26.51 20.00 23.87 28.33 6.1 1029.27 -1383 351 284 -1031 -2715 -1953 -764 794 10 -979 -2624 -1546 -458 128 125 -104 457 650 1178 722 1365 1836 1316 1019 1181 1185 146 -963 -508 722 421 817 742 -1611 -2413 -2633 -2533 -1543 -237 -2 -821 -2 -68 -250 -321 -137 -243 -290 -865 -92 164 423 1006 1202 1014 972 621 194 36 499 1040 1704 2126 1295 596 -331 -545 -131 597 1111 297 1016 441 531 -102 -806 -1247 -1483 -1977 -1770 -1744 -2069 -1774 -1638 -639 -456 366 527 354 705 375 -87 -613 -632 -296 123 486 555 277 -64 -806 -1363 -838 -547 -912 -942 -599 -162 572 856 1067 747 347 -4 -252 187 -72 331 463 249 454 688 669 591 603 121 111 79 578 151 -268 -504 -310 -126 45 289 346 261 -17 172 -461 -901 -1029 -492 132 109 -378 -915 -668 -263 268 4 -384 -1044 -612 -191 54 59 -52 238 345 638 402 766 1022 743 553 664 682 84 -532 -280 379 224 454 432 -904 -1410 -1511 -1438 -990 -164 -1 -673 -1 -56 -207 -265 -112 -205 -236 -686 -71 131 354 876 1023 887 863 558 175 32 442 944 1628 2037 1301 593 -309 -498 -115 542 1045 306 1085 451 554 -101 -765 -1146 -1289 -1763 -1621 -1763 -2162 -1863 -1811 -746 -539 452 638 429 861 426 -95 -652 -645 -311 132 572 674 351 -80 -962 -1612 -952 -640 -1089 -1190 -752 -212 772 1152 1478 1034 460 -5 -315 231 -88 404 602 329 615 926 878 781 754 145 133 96 726 191 -351 -677 -403 -169 63 407 502 387 -25 251 -657 -1256 -1422 SS 20250504T161617.0Z 9255.677975 303 1 50.89 2 25.26 153.10 92.38 63.32 0.00 1 0.00 1 0 17 1.099e-02 8.477e-03 2.108e-03 1.425e-03 1.620046e-01 7.614171e-04 1.910114e-03 -6.000000e+00 6.637520e-03 230.31 -2.00 3.48 -2.00 314.98 0.00e+00 7.121236e-04 6.564235e-05 6.810819e-05 -6.000000e+00 2.925367e-04 283.44 -2.00 20.00 -2.00 314.36 0.00e+00 1.105 0.000 302.00 328.00 3 5.7371e+00 1.9627e-03 1.3837e-02 -6.0000e+00 1.6566e-02 2.7740e-02 2.1789e-03 8.2149e-03 -6.0000e+00 1.7940e-02 -3.0854e-03 1.2415e-03 3.9732e-03 -6.0000e+00 1.0680e-02 -3.8196e-03 5.3023e-04 1.1287e-03 -6.0000e+00 4.4221e-03 4.8294e-04 1.3982e-04 4.4765e-05 1.5993e-05 -6.0000e+00 3.4036e-04 5.1567e-03 6.8901e-05 11 8 0 10 0 0 99.93 23.87 0.54 0.00516 0.00621 25 4 1 5 0 2035.240 26.51 20.00 23.87 28.95 6.1 1033.38 -4131 993 -382 302 -2286 -3183 405 925 -1134 -1343 -2765 -1411 -740 365 699 143 35 797 1172 675 1838 2078 1046 880 1200 1215 89 -1166 -475 1455 -28 834 632 -1489 -1959 -2778 -2637 -1602 188 -182 -869 231 25 76 -542 80 -303 -998 -813 407 377 140 1017 1380 836 1264 376 78 -9 -50 1241 1972 2011 1397 481 -330 -637 -685 403 1167 462 1006 545 451 150 -545 -1563 -1486 -2184 -2158 -1627 -2008 -1988 -1523 -900 -338 336 756 559 755 184 -414 -837 -690 -571 172 359 472 792 -44 -713 -1460 -841 -604 -1132 -716 -632 110 505 1222 1359 695 381 -253 -159 179 -216 96 417 437 398 632 926 345 424 89 200 37 467 28 -348 -483 -195 -134 -17 204 263 562 62 244 -501 -803 -1031 -1377 339 -134 100 -699 -921 115 283 -387 -480 -1000 -506 -281 151 320 65 17 381 572 339 925 1039 533 463 653 677 50 -625 -236 743 -13 416 331 -808 -1024 -1435 -1451 -995 124 -139 -675 186 21 63 -451 65 -242 -775 -657 321 306 111 838 1178 736 1123 340 71 -8 -45 1129 1887 1914 1391 475 -305 -585 -608 369 1088 470 1066 582 467 146 -519 -1361 -1313 -1842 -1988 -1648 -2078 -2189 -1648 -1032 -411 403 930 689 950 216 -476 -884 -698 -596 193 414 590 970 -54 -876 -1693 -935 -691 -1395 -930 -808 145 694 1649 1890 970 539 -333 -205 216 -261 121 525 585 548 865 1233 441 547 109 235 44 573 36 -469 -627 -257 -182 -24 288 384 833 93 357 -718 -1188 -1513 SS 20250504T163622.5Z 9255.691927 319 1 14.51 2 23.84 164.21 89.02 66.45 0.00 1 0.00 1 0 17 9.455e-03 8.025e-03 2.119e-03 1.536e-03 1.594104e-01 8.266803e-04 1.887908e-03 -6.000000e+00 5.710693e-03 230.31 -2.00 3.48 -2.00 314.63 0.00e+00 5.668635e-04 6.688156e-05 5.935758e-05 -6.000000e+00 2.516866e-04 283.44 -2.00 20.00 -2.00 314.06 0.00e+00 1.093 0.000 302.00 328.00 3 4.6983e+00 2.1211e-03 1.3661e-02 -6.0000e+00 1.4253e-02 2.8010e-02 2.3495e-03 8.0804e-03 -6.0000e+00 1.5435e-02 -4.1463e-03 1.3419e-03 3.9109e-03 -6.0000e+00 9.1888e-03 -3.7560e-03 5.6907e-04 1.0903e-03 -6.0000e+00 3.8047e-03 1.3911e-03 1.8010e-04 4.8257e-05 1.6391e-05 -6.0000e+00 2.9283e-04 4.8690e-03 6.1127e-05 12 9 1 12 1 1 99.99 23.87 0.56 0.00487 0.00622 19 12 1 5 0 725.280 26.51 20.00 23.87 29.22 6.1 1034.33 -664 398 79 -1864 -2442 -1287 -441 28 -616 -919 -2313 -1511 -628 361 651 -103 118 183 935 791 1565 1127 1317 1000 1202 799 -164 -317 53 727 453 1207 649 -1552 -2319 -2422 -2145 -1322 -425 -255 -712 -337 -139 -193 39 90 -229 -444 -674 157 -40 776 993 1351 657 1153 699 114 -76 678 1037 1451 2039 1515 595 -390 -530 -329 492 1112 560 690 719 343 94 -677 -1514 -1811 -2033 -1830 -1765 -2090 -2121 -1795 -778 -385 382 720 702 585 257 -182 -439 -367 -339 43 526 565 410 -335 -916 -1291 -698 -508 -896 -1074 -456 -273 413 815 996 568 247 58 -259 193 100 332 748 340 400 722 724 666 560 128 150 243 373 -15 -325 -289 -135 54 169 185 307 173 90 -12 -534 -897 -1048 -238 151 30 -696 -828 -441 -153 10 -232 -362 -923 -600 -263 165 303 -52 62 98 506 438 873 630 741 582 672 459 -94 -186 29 378 239 661 374 -927 -1338 -1371 -1291 -836 -292 -200 -575 -283 -120 -167 34 77 -190 -356 -524 128 -32 635 849 1196 601 1001 616 100 -71 624 922 1362 2026 1485 579 -377 -473 -300 464 1080 561 721 754 349 95 -627 -1361 -1539 -1767 -1733 -1738 -2126 -2296 -2040 -885 -465 459 888 865 696 300 -205 -453 -385 -366 48 599 699 504 -408 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