File name: Pandora75s1_EssexMD_20250711_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250712T051950.5Z 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_20250711_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: 20250711 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 20250711T120218.2Z 9323.501599 242 1 51.93 2 66.72 79.90 108.99 252.51 0.00 1 0.00 1 0 17 2.920e-02 7.774e-03 5.167e-03 1.139e-03 3.414776e-01 6.040658e-04 3.970213e-03 -6.000000e+00 1.778323e-02 232.78 -2.00 3.48 -2.00 317.88 0.00e+00 1.005389e-03 1.049266e-04 5.465980e-04 -6.000000e+00 7.990156e-04 290.05 -2.00 20.00 -2.00 317.00 0.00e+00 2.510 0.000 302.00 328.00 3 3.6583e+00 1.6305e-03 3.0879e-02 -6.0000e+00 4.4554e-02 2.0599e-02 1.8427e-03 1.7789e-02 -6.0000e+00 4.8118e-02 -5.3910e-03 1.1314e-03 8.5510e-03 -6.0000e+00 2.8701e-02 -2.8847e-03 5.6036e-04 2.3034e-03 -6.0000e+00 1.1895e-02 7.1911e-04 -2.8348e-04 3.5905e-05 2.7742e-05 -6.0000e+00 9.0542e-04 9.0069e-03 -3.6274e-05 11 8 0 10 0 0 99.98 23.50 0.53 0.00901 0.00688 65 11 1 5 0 798.910 26.21 19.99 23.50 33.73 6.6 1058.94 -22008 -4991 6081 -5412 -6961 -9940 -3556 -6019 -9363 -4529 -8149 -4937 -5229 -2485 -647 -2646 -765 -1455 58 1467 3127 2631 1446 1340 946 221 -1119 -2287 -1018 1355 193 440 698 -2040 -3598 -2811 -2369 -2047 863 -150 -236 76 368 305 -21 698 287 -708 -836 315 726 903 1512 1801 775 1180 613 109 -120 225 1399 1754 2194 1890 1057 -254 -152 7 816 1288 646 955 544 180 -164 -1235 -1430 -1751 -1848 -1953 -1528 -2076 -2025 -1604 -776 -357 398 759 652 588 569 162 -408 -590 -370 194 610 572 99 -440 -1199 -1552 -856 -674 -1065 -1109 -701 -227 514 886 990 511 115 51 -100 218 165 321 489 423 504 567 655 541 514 29 226 129 361 93 -327 -593 -302 -123 122 28 387 454 57 77 -378 -712 -746 -1677 -359 409 -396 -479 -678 -238 -457 -814 -400 -770 -477 -572 -309 -92 -430 -132 -267 10 260 560 478 273 267 200 49 -253 -503 -212 276 43 106 183 -571 -998 -771 -701 -700 313 -64 -112 38 191 149 -10 370 152 -374 -442 168 378 505 898 1130 512 740 394 70 -76 154 909 1219 1651 1518 805 -200 -114 5 642 1048 577 889 508 162 -138 -1018 -1088 -1299 -1450 -1608 -1411 -2001 -2100 -1653 -848 -414 455 890 764 702 633 177 -420 -602 -401 218 721 745 130 -571 -1560 -1882 -1043 -793 -1343 -1480 -930 -316 716 1315 1473 775 179 74 -144 297 226 457 702 637 771 855 957 800 723 40 312 173 514 136 -507 -954 -476 -203 202 48 688 821 103 136 -643 -1231 -1276 SS 20250711T121339.7Z 9323.509488 246 1 10.27 2 64.55 81.54 111.00 254.06 0.00 1 0.00 1 0 17 1.761e-02 7.674e-03 3.307e-03 1.095e-03 3.138640e-01 5.821383e-04 3.639874e-03 -6.000000e+00 1.072975e-02 232.78 -2.00 3.48 -2.00 317.18 0.00e+00 8.957425e-04 8.306432e-05 3.427264e-04 -6.000000e+00 4.819375e-04 290.05 -2.00 20.00 -2.00 316.31 0.00e+00 2.312 0.000 302.00 328.00 3 2.2832e+00 1.5476e-03 2.8343e-02 -6.0000e+00 2.6883e-02 6.6807e-03 1.7357e-03 1.6159e-02 -6.0000e+00 2.9029e-02 -3.9377e-03 1.0172e-03 7.7640e-03 -6.0000e+00 1.7316e-02 -2.9822e-03 4.8301e-04 2.1078e-03 -6.0000e+00 7.1788e-03 3.6169e-03 1.0380e-04 3.4504e-05 2.6211e-05 -6.0000e+00 5.4604e-04 8.3372e-03 3.9487e-05 12 9 1 12 1 1 97.61 23.48 0.45 0.00834 0.00912 43 36 1 5 0 233.290 26.21 20.00 23.48 34.55 6.6 1064.42 -6760 -1593 -2047 -4302 -6723 -7709 -4320 -4991 -2029 -4446 -3731 -4708 -2188 -2733 -174 -921 443 719 842 1139 2107 2447 1636 1486 740 1065 -230 -1105 -1020 -732 866 874 1056 -1712 -3040 -3307 -2712 -1627 -70 -63 -689 -151 360 259 393 408 -9 -345 -107 119 559 1042 1493 1099 1157 1291 934 54 333 308 1069 1770 2322 1913 523 171 -296 -207 847 1232 738 744 706 -46 -127 -1011 -1755 -1896 -1871 -1876 -1626 -2084 -1979 -1592 -772 -497 341 580 561 489 269 -130 -566 -244 -354 124 324 424 94 -387 -998 -1446 -749 -613 -793 -834 -415 -162 514 890 641 482 293 118 -71 -118 156 391 497 364 482 696 697 600 688 109 257 103 327 49 -230 -449 -206 29 28 69 511 272 138 36 -476 -899 -898 -738 -184 -247 -513 -758 -842 -475 -610 -266 -636 -544 -726 -335 -487 -35 -207 106 180 221 284 532 621 429 411 217 324 -71 -331 -291 -208 256 282 368 -635 -1112 -1206 -981 -674 -31 -33 -375 -86 212 156 237 246 -6 -204 -63 71 351 655 996 777 800 915 675 39 239 221 788 1387 1854 1626 453 141 -232 -160 691 1057 693 694 660 -44 -112 -867 -1393 -1544 -1513 -1608 -1562 -2110 -2050 -1741 -854 -585 401 699 676 568 305 -143 -581 -258 -378 139 387 534 125 -510 -1249 -1764 -909 -729 -1009 -1077 -561 -221 710 1303 952 725 428 168 -99 -162 214 535 695 537 722 1027 1001 859 936 148 338 139 449 70 -345 -671 -317 46 45 113 863 468 238 60 -802 -1471 -1455 SS 20250711T122337.0Z 9323.516400 249 1 51.95 2 62.65 82.99 112.76 255.41 0.00 1 0.00 1 0 17 1.459e-02 7.604e-03 5.646e-04 2.100e-04 2.949957e-01 1.119592e-04 3.430201e-03 -6.000000e+00 8.886497e-03 232.78 -2.00 3.48 -2.00 316.93 0.00e+00 8.649420e-04 1.495588e-05 2.918885e-04 -6.000000e+00 3.991384e-04 290.05 -2.00 20.00 -2.00 316.06 0.00e+00 2.164 0.000 302.00 328.00 3 8.0333e-01 2.9622e-04 2.6559e-02 -6.0000e+00 2.2264e-02 -3.8558e-03 3.3144e-04 1.5161e-02 -6.0000e+00 2.4042e-02 -2.6946e-03 1.9272e-04 7.2884e-03 -6.0000e+00 1.4341e-02 -3.7355e-03 9.0187e-05 1.9846e-03 -6.0000e+00 5.9457e-03 1.8979e-02 1.9120e-04 6.6267e-06 2.5633e-05 -6.0000e+00 4.5222e-04 8.4725e-03 5.2289e-05 11 8 0 10 0 0 99.68 23.50 0.46 0.00847 0.00991 1254 204 1 5 0 41.130 26.21 20.00 23.50 35.38 6.5 1068.85 -1813 -1293 -2016 -4036 -5038 -5023 -3993 -2931 -2362 -3915 -4493 -4246 -2574 -1381 -76 6 284 995 1538 1636 1500 1417 1570 1421 1157 905 -148 -1014 -742 -315 192 834 335 -1708 -3267 -3371 -2750 -1549 -115 -269 -469 -85 -23 199 238 464 73 -273 -310 164 592 955 1192 1158 923 951 787 259 185 511 1211 1879 2155 1670 730 -35 -470 -104 703 1220 773 762 618 307 -137 -982 -1485 -1834 -1784 -1657 -1787 -1913 -1972 -1685 -764 -359 287 682 560 492 372 -68 -517 -342 -199 45 422 488 36 -449 -1063 -1458 -894 -505 -898 -939 -550 -277 503 839 818 595 354 40 -154 -24 154 435 471 387 455 577 636 664 610 162 170 283 242 68 -231 -410 -208 42 77 124 392 293 81 -15 -435 -853 -900 -232 -166 -270 -532 -679 -648 -530 -424 -341 -610 -720 -708 -470 -287 -18 1 72 265 426 470 441 420 475 452 389 316 -52 -347 -241 -101 65 303 122 -654 -1234 -1267 -1109 -663 -58 -146 -265 -50 -14 124 149 289 45 -166 -187 100 379 652 812 833 691 689 580 192 136 373 906 1496 1754 1445 639 -29 -392 -85 576 1106 729 716 582 294 -123 -844 -1243 -1487 -1516 -1486 -1710 -1926 -2037 -1837 -844 -421 338 823 676 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