File name: Pandora75s1_EssexMD_20260124_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20260128T163306.3Z 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 v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20260124_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: 20260124 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 20260124T130559.6Z 9520.545829 62 1 51.88 2 82.86 121.96 112.98 58.30 0.00 1 0.00 1 0 17 4.872e-01 2.660e-02 2.131e-01 6.591e-03 7.670639e-01 3.714137e-03 1.018157e-02 -6.000000e+00 2.892467e-01 224.22 -2.00 3.48 -2.00 321.91 0.00e+00 2.066966e-02 2.093200e-03 6.832574e-03 -6.000000e+00 1.326797e-02 276.62 -2.00 20.00 -2.00 321.44 0.00e+00 7.409 0.007 302.00 328.00 3 1.2831e+00 1.3779e-02 8.5487e-02 -6.0000e+00 7.1295e-01 7.9395e-01 1.7752e-02 4.1705e-02 -6.0000e+00 7.7760e-01 -1.1570e+00 1.5608e-02 2.7505e-02 -6.0000e+00 4.6201e-01 4.8147e-01 7.2403e-03 1.8553e-02 -6.0000e+00 1.9286e-01 4.3986e-05 -7.2533e-04 2.0105e-04 4.4442e-04 -6.0000e+00 1.5463e-02 2.2064e-02 -6.3079e-05 12 9 8 11 8 0 90.60 22.66 0.99 0.02206 0.01661 49 8 1 5 0 1058.730 25.58 20.00 22.66 -5.05 7.4 797.52 -185526 -55602 900000 900000 -50029 -46340 900000 -95641 -123221 -3948 -53690 272291 15002 900000 -3204 -5542 -6773 46859 47628 2724 900000 65124 106132 8270 -13329 -16956 -55253 -22009 1242 900000 59308 33929 137914 52017 38479 122520 79467 -24371 126776 72600 43937 94004 105364 50873 48164 73030 57580 42723 41706 78496 36446 56906 29049 81445 43001 54188 11699 26092 3839 14417 37002 27444 27986 17642 23430 10121 29976 6076 20449 15085 11477 19325 2416 79 -3767 8484 -338 9426 -86 -2539 -3287 -4232 -1995 -513 -3275 1076 3161 1296 -261 -3306 374 -4362 -1289 -7681 -6300 -689 -2714 -3039 1742 -72 -2002 -4837 -4512 -3095 -3478 -3960 -1277 -1594 -208 -217 3416 -1941 -1013 -1977 -478 480 -1113 -76 206 1430 2692 2728 3151 1510 1112 -1087 820 1867 1515 1412 -54 -1 106 -141 398 -390 278 703 -573 840 -243 -698 -2674 -14294 -1331 900000 900000 -934 -730 900000 -2121 -3452 -32 -721 1748 149 900000 -65 -139 -194 848 890 79 900000 912 929 183 -350 -445 -2064 -578 27 900000 1004 891 1594 1469 1186 1573 1633 -1565 2035 2237 1946 2656 2774 2384 2381 2907 2773 2496 2597 3629 2808 3909 2835 4968 3948 4453 1450 2714 483 1629 3516 3207 3719 2911 3851 1904 4658 1252 4004 3487 2962 4715 676 21 -941 1700 -71 1906 -22 -804 -1232 -1823 -918 -248 -1728 575 1727 738 -150 -1887 194 -2249 -640 -4359 -4053 -496 -2140 -2758 1627 -69 -1820 -4105 -3544 -2649 -2875 -3497 -1179 -1619 -234 -277 4682 -2981 -1559 -3003 -690 676 -1634 -116 331 2318 4236 4135 4597 2165 1550 -1513 1129 2761 2567 2493 -108 -2 242 -343 947 -976 706 1792 -1453 1998 -595 -1620 -6244 SS 20260124T131644.8Z 9520.553296 65 1 51.22 2 81.11 123.82 111.22 60.31 0.00 1 0.00 1 0 17 4.332e-01 1.764e-02 1.659e-01 3.715e-03 6.861417e-01 2.020442e-03 8.438035e-03 -6.000000e+00 2.569699e-01 224.22 -2.00 3.48 -2.00 321.30 0.00e+00 1.016125e-02 9.872168e-04 5.167621e-03 -6.000000e+00 1.141156e-02 276.62 -2.00 20.00 -2.00 320.79 0.00e+00 6.128 0.004 302.00 328.00 3 1.8273e+00 6.7371e-03 7.2291e-02 -6.0000e+00 6.3368e-01 2.6516e-01 9.0113e-03 4.0192e-02 -6.0000e+00 6.9108e-01 -4.0458e-01 9.0027e-03 2.6294e-02 -6.0000e+00 4.1031e-01 1.6667e-01 4.2775e-03 1.2359e-02 -6.0000e+00 1.7027e-01 9.9963e-05 -4.1054e-04 1.1178e-04 2.4251e-04 -6.0000e+00 1.3526e-02 2.1060e-02 -8.2341e-05 12 8 8 10 0 0 99.22 22.66 0.66 0.02106 0.01798 52 8 1 5 0 984.850 25.58 19.99 22.66 -4.18 7.4 803.21 -279750 -155240 900000 -56955 -97488 -182760 900000 -173652 -155815 -32704 -39363 -84858 -56623 91240 5855 -64370 -66137 -10514 -40221 -49349 8275 -8528 -7151 6088 -9139 -23683 -36347 -34513 -37913 28196 -3084 -11387 21429 7107 12392 20157 5612 -17507 29847 27020 6355 32209 16994 14000 6781 23317 18661 12001 12766 22445 17606 11287 14851 24102 11495 18480 3176 4259 -2499 -795 9899 5422 4686 11215 10000 2484 5728 2644 5630 4547 2255 6140 -274 -3464 -928 -1131 -1103 -326 -1588 -4004 -3450 -3575 -1951 -1778 -2745 1149 1024 936 -38 73 -42 -1353 -2201 -3749 -2963 -639 13 -103 1276 -179 -1153 -2082 -2070 -1320 -1972 -2253 -1508 -213 390 936 1634 19 -186 -714 -983 89 -426 241 784 720 1300 1380 1591 636 527 -437 812 1086 715 378 -816 -254 -348 -177 -67 -27 402 675 -158 332 -238 -512 -1323 -12527 -2351 900000 -338 -802 -3370 900000 -3145 -2514 -162 -220 -866 -559 330 52 -1399 -1677 -187 -1034 -1448 138 -167 -140 108 -195 -600 -1053 -975 -1140 490 -88 -425 660 268 435 657 230 -1046 1319 1429 460 1937 1256 1105 592 1782 1548 1113 1244 2146 1958 1484 2060 3282 1865 2878 583 765 -471 -147 1735 1106 1095 2734 2593 694 1558 777 1772 1632 901 2440 -114 -1395 -333 -370 -345 -106 -594 -1817 -1654 -1949 -1145 -1112 -1852 791 739 692 -28 52 -28 -870 -1407 -2574 -2283 -561 14 -109 1423 -202 -1228 -2041 -2072 -1325 -2112 -2354 -1670 -253 511 1366 2400 31 -293 -1095 -1447 126 -620 366 1243 1172 2076 2128 2366 997 798 -650 1191 1704 1171 696 -1546 -513 -744 -402 -150 -63 963 1627 -379 757 -551 -1132 -2918 SS 20260124T132945.7Z 9520.562334 70 1 39.15 2 79.05 126.13 109.05 62.67 0.00 1 0.00 1 0 17 4.353e-01 1.099e-02 1.022e-01 2.295e-03 5.926643e-01 1.214867e-03 7.079546e-03 -6.000000e+00 2.563984e-01 224.22 -2.00 3.48 -2.00 320.52 0.00e+00 4.969196e-03 4.722417e-04 3.366799e-03 -6.000000e+00 1.126426e-02 276.62 -2.00 20.00 -2.00 319.97 0.00e+00 5.074 0.002 302.00 328.00 3 1.9273e+00 3.6872e-03 5.9710e-02 -6.0000e+00 6.3227e-01 6.8603e-02 4.6445e-03 3.3387e-02 -6.0000e+00 6.8912e-01 -1.0725e-01 4.3927e-03 2.0015e-02 -6.0000e+00 4.1049e-01 3.6163e-02 2.1905e-03 8.0380e-03 -6.0000e+00 1.7048e-01 2.7450e-04 1.4722e-04 6.9651e-05 1.3353e-04 -6.0000e+00 1.3461e-02 1.9787e-02 -6.5288e-06 12 9 9 12 1 1 99.41 22.67 0.56 0.01979 0.02089 65 14 1 5 0 593.120 25.58 20.00 22.67 -4.10 7.3 803.21 -205735 -151826 306726 -107042 -114429 -125285 -72466 -112436 -111605 -70864 -75688 -62367 -57760 -27778 -14829 -46505 -33594 -21793 -16238 -27368 -17051 -9083 -2877 -23980 -21212 -15417 -27683 -15413 -22119 -3078 -2192 -1325 2463 -9579 -7160 187 -9126 -8522 -1798 1864 -646 6883 4425 2822 1956 3478 2996 1582 3404 5719 2976 3814 3332 6101 3014 4365 991 616 380 173 3018 2491 3559 4087 3293 1493 1631 666 2770 1745 1888 2762 -46 -596 -1508 -2451 -2256 -2330 -2651 -2596 -2096 -1975 -1931 -1091 -761 -223 647 1348 984 579 402 -957 -1145 -1272 -1611 -142 714 833 449 -225 -1157 -1668 -1508 -946 -1231 -1494 -983 30 444 1051 1408 320 -67 -504 -759 -113 -77 220 622 700 902 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