File name: Pandora75s1_EssexMD_20250211_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250212T052324.6Z 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_20250211_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: 20250211 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 20250211T162338.6Z 9173.683085 404 1 51.11 2 54.70 163.13 120.79 354.80 0.00 1 0.00 1 0 17 1.695e-02 8.232e-03 4.246e-03 1.774e-03 2.416864e-01 9.193806e-04 2.853795e-03 -6.000000e+00 1.001911e-02 224.85 -2.00 3.48 -2.00 316.65 0.00e+00 1.352262e-03 1.130445e-04 1.429520e-04 -6.000000e+00 4.385039e-04 276.54 -2.00 20.00 -2.00 316.04 0.00e+00 1.726 0.000 302.00 328.00 3 5.4039e+00 2.3871e-03 2.0967e-02 -6.0000e+00 2.4743e-02 3.0169e-02 2.6810e-03 1.2036e-02 -6.0000e+00 2.6946e-02 -4.7421e-03 1.5642e-03 5.9522e-03 -6.0000e+00 1.6044e-02 -4.3926e-03 7.2734e-04 1.8790e-03 -6.0000e+00 6.6626e-03 3.1775e-04 -4.7153e-05 5.6234e-05 2.2333e-05 -6.0000e+00 5.2412e-04 1.1737e-02 -1.2746e-05 11 9 0 11 8 0 99.96 23.01 0.43 0.01174 0.01138 28 5 1 5 0 1825.040 25.90 20.00 23.01 9.43 5.8 896.65 -11132 -377 5171 113 -4289 1723 1127 -2829 -5178 -2154 -3745 -2668 -620 4486 -466 -1835 -56 -791 1650 220 2025 2978 975 537 -169 -6 -274 -1146 -1783 2690 -1237 667 928 -1402 -2496 -2403 -2820 -837 416 161 -806 730 455 -63 -350 512 -187 -549 -773 226 306 -515 1591 1979 713 1604 354 -164 -407 12 1011 2301 1752 998 945 -244 -352 -157 968 1078 723 1477 288 -279 -32 -1028 -1330 -1375 -2065 -2581 -1667 -2255 -1740 -1427 -1196 -165 395 705 685 891 443 -245 -788 -733 -587 161 593 398 369 -86 -979 -1508 -666 -489 -755 -1135 -505 -3 456 909 1122 528 451 -318 -567 408 96 239 519 355 261 429 522 762 382 83 177 34 478 -23 -358 -458 -200 100 26 -28 360 295 88 303 -427 -639 -994 -1879 -63 832 18 -660 237 161 -458 -939 -398 -710 -515 -129 1010 -125 -497 -16 -233 491 68 628 916 311 179 -59 -2 -98 -395 -585 913 -414 235 346 -548 -951 -905 -1147 -384 222 91 -504 473 304 -43 -239 345 -124 -358 -496 144 204 -367 1174 1406 529 1201 271 -126 -309 9 782 1878 1546 865 876 -215 -290 -126 816 1004 681 1440 284 -266 -30 -897 -1064 -1056 -1663 -2315 -1533 -2288 -1877 -1512 -1349 -197 491 899 872 1086 504 -275 -823 -748 -627 187 710 522 474 -109 -1259 -1817 -766 -579 -958 -1432 -664 -3 655 1293 1659 786 646 -455 -751 542 128 312 718 520 390 634 750 1045 499 111 227 44 655 -31 -514 -679 -303 148 40 -46 602 474 141 502 -690 -1004 -1552 SS 20250211T162750.4Z 9173.686000 407 1 16.80 2 54.48 164.34 120.87 355.89 0.00 1 0.00 1 0 17 1.232e-02 7.794e-03 3.033e-03 1.518e-03 2.394683e-01 7.907247e-04 2.837525e-03 -6.000000e+00 7.286663e-03 224.85 -2.00 3.48 -2.00 316.09 0.00e+00 9.343947e-04 8.504791e-05 1.171587e-04 -6.000000e+00 3.187936e-04 276.54 -2.00 20.00 -2.00 315.49 0.00e+00 1.716 0.000 302.00 328.00 3 4.1224e+00 2.0376e-03 2.0810e-02 -6.0000e+00 1.7995e-02 2.2941e-02 2.2817e-03 1.1872e-02 -6.0000e+00 1.9595e-02 -4.9617e-03 1.3148e-03 5.8674e-03 -6.0000e+00 1.1667e-02 -3.5582e-03 5.9522e-04 1.7391e-03 -6.0000e+00 4.8469e-03 1.1655e-03 2.3164e-04 4.7976e-05 2.2631e-05 -6.0000e+00 3.8102e-04 1.0785e-02 4.8582e-05 12 9 1 12 1 1 99.95 23.02 0.62 0.01078 0.01253 20 11 1 5 0 799.900 25.90 20.00 23.02 9.53 5.8 897.42 -3989 -55 285 -2267 -3188 -4452 -18 -2021 -425 -2314 -3959 -3038 -2182 144 1048 -446 -82 844 1488 1392 2166 1742 1825 950 940 1215 -273 -980 475 -123 316 570 698 -1684 -2892 -3183 -2057 -1234 -133 -89 -830 -462 -5 -361 -190 398 -247 -308 -611 7 383 504 1419 1243 865 1206 801 145 245 493 895 2015 1934 1368 840 -167 -534 -125 434 1109 961 984 778 293 -102 -1117 -1590 -1322 -2015 -1446 -1667 -2156 -2046 -1703 -909 -331 352 390 394 614 408 -239 -760 -407 -100 300 263 524 122 -108 -1021 -1405 -699 -561 -856 -975 -483 -136 556 681 846 547 408 70 -229 -19 -50 276 627 412 498 582 691 527 579 189 369 228 321 153 -191 -351 -148 -54 -18 168 340 270 -138 115 -443 -727 -960 -768 -11 59 -459 -593 -797 -3 -398 -90 -527 -926 -724 -566 41 337 -147 -28 299 543 524 823 665 708 387 400 531 -121 -416 187 -48 127 245 319 -744 -1352 -1476 -936 -640 -75 -58 -555 -324 -3 -263 -138 286 -176 -214 -417 5 271 378 1045 961 693 980 662 120 200 402 749 1676 1731 1292 791 -149 -448 -108 373 1048 933 996 788 287 -99 -993 -1377 -1095 -1749 -1301 -1582 -2254 -2163 -1895 -1018 -392 436 473 477 749 462 -263 -821 -428 -110 341 314 650 159 -139 -1245 -1684 -801 -662 -1082 -1243 -643 -181 771 953 1230 800 574 96 -306 -24 -64 364 838 582 717 829 957 733 765 239 472 296 419 212 -265 -501 -216 -79 -27 258 534 432 -222 179 -704 -1122 -1472 SS 20250211T163221.2Z 9173.689135 410 1 51.47 2 54.25 165.66 120.93 357.07 0.00 1 0.00 1 0 17 1.136e-02 7.574e-03 1.120e-03 5.844e-04 2.383829e-01 3.043708e-04 2.824842e-03 -6.000000e+00 6.716716e-03 224.85 -2.00 3.48 -2.00 316.02 0.00e+00 9.297653e-04 3.215799e-05 1.014745e-04 -6.000000e+00 2.939134e-04 276.54 -2.00 20.00 -2.00 315.44 0.00e+00 1.707 0.000 302.00 328.00 3 3.4324e+00 7.8270e-04 2.0702e-02 -6.0000e+00 1.6588e-02 1.1623e-02 8.7601e-04 1.1820e-02 -6.0000e+00 1.8063e-02 -4.5620e-03 5.0432e-04 5.8380e-03 -6.0000e+00 1.0755e-02 -3.8286e-03 2.2715e-04 1.7317e-03 -6.0000e+00 4.4672e-03 2.3620e-03 7.0064e-05 1.8415e-05 2.2926e-05 -6.0000e+00 3.5129e-04 1.1277e-02 1.8851e-05 11 8 0 10 0 0 98.08 23.02 0.52 0.01128 0.01180 129 21 1 5 0 398.910 25.90 20.00 23.02 9.67 5.8 898.48 -1872 -401 -256 -2276 -4062 -3326 -1573 -1194 -1233 -2539 -3387 -2257 -1591 -140 437 -22 349 1226 1479 1429 1800 1762 1546 1313 1175 867 -140 -717 -476 289 432 1305 619 -1574 -2873 -2781 -2277 -1065 54 -444 -540 -408 -29 -195 -64 197 152 -316 -313 77 494 727 1080 1237 837 982 459 264 248 576 1245 1707 1957 1423 624 -247 -592 -174 678 1072 709 750 629 353 -96 -869 -1420 -1631 -1762 -1626 -1721 -1999 -1994 -1654 -917 -406 284 567 486 508 406 -87 -444 -295 -187 101 495 546 135 -357 -1011 -1303 -734 -453 -845 -1019 -529 -199 462 733 797 456 357 45 -205 25 167 420 502 403 437 616 665 591 636 211 232 259 377 151 -284 -413 -202 50 90 115 375 243 19 41 -529 -857 -954 -383 -88 -58 -500 -828 -639 -307 -253 -287 -630 -856 -580 -446 -40 141 -8 130 434 542 539 688 675 603 535 501 382 -62 -304 -190 113 174 559 284 -755 -1348 -1290 -1131 -558 31 -275 -368 -292 -21 -136 -45 145 110 -224 -218 54 357 524 819 982 687 775 369 212 208 481 1008 1469 1711 1312 576 -228 -512 -147 600 990 678 748 628 341 -91 -796 -1194 -1395 -1484 -1514 -1694 -2056 -2087 -1822 -1022 -480 350 687 589 618 459 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