File name: Pandora75s1_EssexMD_20241021_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T080917.9Z 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_20241021_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: 20241021 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 20241021T115455.6Z 9060.496477 253 1 51.98 2 84.82 108.74 42.87 270.69 0.00 1 0.00 1 0 17 6.075e-01 5.316e-02 3.573e-01 2.260e-02 8.704003e-01 1.308900e-02 1.016113e-02 -6.000000e+00 3.729859e-01 225.61 -2.00 3.48 -2.00 322.25 0.00e+00 -1.264015e-03 6.184250e-03 1.467285e-02 -6.000000e+00 1.766785e-02 284.63 -2.00 20.00 -2.00 321.72 0.00e+00 9.562 0.015 302.00 328.00 3 6.3150e-01 4.8561e-02 1.3558e-01 -6.0000e+00 9.2207e-01 1.6928e+00 5.8382e-02 1.1633e-01 -6.0000e+00 1.0079e+00 -2.1092e+00 3.3945e-02 3.5333e-02 -6.0000e+00 5.9425e-01 7.9928e-01 1.7649e-02 9.3119e-03 -6.0000e+00 2.5056e-01 8.7652e-06 2.4782e-03 6.8920e-04 1.9214e-04 -6.0000e+00 1.9718e-02 1.2272e-02 -1.0864e-04 12 8 8 10 0 0 45.20 23.38 2.50 0.01227 0.03089 23 4 1 5 0 2259.710 26.21 20.00 23.38 17.96 5.6 944.20 900000 -761 900000 900000 -4178 -37414 900000 42918 -53557 -2882 69512 178643 37104 900000 164819 88247 60478 59737 159571 49049 105991 154878 191984 15828 14861 82805 -29635 12987 -41454 900000 123774 39118 210028 7914 900000 900000 50255 -51410 135566 900000 57170 900000 900000 106325 -4619 900000 154725 527 38804 900000 84365 31557 139014 900000 63225 900000 28805 27739 4201 -9032 51998 151155 40714 6929 37038 -55077 64251 -5396 153798 51253 16932 115496 -6448 -13939 27767 8135 31586 92941 21586 -29748 4819 -16038 -2933 2097 -5267 9727 -1898 11629 18219 -4577 7150 -21834 36408 -11909 2881 18632 5716 -1896 -3963 7447 -12375 -881 -13711 -5244 -5162 -7115 -2095 3399 2963 2747 17393 1100 1416 -4523 2723 3876 2037 86 -1539 -2098 3614 -311 4056 1320 -620 -7539 1561 -11636 8396 3239 2751 -1757 -1177 -924 -858 -1123 -1971 2519 -2672 3929 2171 1228 -2103 900000 -103 900000 900000 -360 -3905 900000 1886 -6080 -207 2360 3925 2075 900000 3621 4054 3745 3699 3506 3037 3387 3403 4218 1107 1039 2812 -2841 726 -3726 900000 2720 2032 4615 585 900000 900000 2208 -6983 3250 900000 3540 900000 900000 3823 -480 900000 3400 50 2558 900000 4044 2774 4887 900000 5140 900000 3291 3047 545 -1270 3999 4650 4205 1096 4476 -16579 5929 -1055 6759 6982 3460 8882 -1601 -3400 3966 1269 3748 6331 3462 -9478 1271 -5920 -1038 751 -2152 3591 -813 4395 6325 -1901 2482 -9739 9200 -5338 1292 8433 3454 -1408 -3213 5334 -10088 -581 -9611 -3422 -3573 -5347 -1616 2741 2728 2909 17848 1421 1860 -6221 3393 4736 2609 118 -2256 -3134 4979 -429 5178 1682 -784 -10055 1942 -18255 12470 5801 5520 -4012 -2618 -2207 -2188 -2996 -5412 6651 -7259 9442 5453 2943 -5181 SS 20241021T120637.2Z 9060.504597 256 1 51.41 2 82.70 110.67 45.06 272.41 0.00 1 0.00 1 0 17 4.522e-01 2.211e-02 1.560e-01 4.118e-03 7.721658e-01 2.288837e-03 1.027661e-02 -6.000000e+00 2.681308e-01 225.60 -2.00 3.48 -2.00 321.76 0.00e+00 1.347289e-02 1.324170e-03 9.708154e-03 -6.000000e+00 1.209387e-02 284.63 -2.00 20.00 -2.00 321.22 0.00e+00 7.260 0.007 302.00 328.00 3 6.1778e-01 8.7161e-03 9.2040e-02 -6.0000e+00 6.6148e-01 6.4792e-01 1.1535e-02 6.0779e-02 -6.0000e+00 7.1891e-01 -9.3765e-01 9.9372e-03 3.1603e-02 -6.0000e+00 4.2991e-01 3.8059e-01 4.5734e-03 1.0701e-02 -6.0000e+00 1.7972e-01 1.0021e-04 -3.5555e-04 1.1891e-04 3.3531e-04 -6.0000e+00 1.3989e-02 1.0224e-02 -3.2875e-05 12 8 8 10 0 0 20.80 23.37 0.80 0.01022 0.00755 98 16 1 5 0 524.560 26.21 20.00 23.37 19.49 5.5 954.12 -224722 -107462 229998 -49378 -145208 -141441 12340 -129781 -133827 -69105 -111714 -72887 -59604 -69573 -77652 -12197 -9241 24040 27028 -46383 36083 3794 -5714 -5776 -39765 -13170 -39421 -12206 -40018 60026 2090 -172 60367 1932 16132 40976 15633 2559 53806 25134 27398 42466 53940 34580 9606 41277 37832 32698 35766 51049 29236 32153 29709 46000 24773 29880 11268 8850 11552 8668 18976 13627 17328 20006 18264 2219 18935 5573 12458 13008 9599 15828 4398 2089 2949 2333 -1440 1322 -4031 -4974 -1658 -2612 126 -2891 -2840 855 -202 2247 1313 -1388 -715 -4100 -3015 -4651 -3567 -2726 -1128 -655 -389 -1141 -2358 -2727 -2880 -2692 -3335 -3455 -1885 -858 -41 561 2143 610 -628 -1461 -1062 -464 -609 -475 193 1064 2104 2246 2718 1846 1939 168 542 -1217 1400 954 623 284 94 -9 -107 -147 296 648 -304 318 -352 -911 -1834 -12880 -2197 924 -559 -3817 -3253 59 -2558 -2785 -757 -1917 -958 -870 -1473 -2268 -223 -186 377 434 -1575 527 73 -119 -120 -1161 -293 -1123 -284 -1253 771 58 -6 1285 78 544 1053 546 115 1685 1201 1408 1995 2361 1889 687 2205 2157 2048 2298 3034 2383 2815 2899 4082 2835 3312 1507 1187 1461 1117 2301 1932 2700 3406 3359 482 3513 1238 2842 3322 2756 4405 1340 608 772 557 -341 319 -1177 -1754 -667 -1213 62 -1583 -1656 509 -115 1412 829 -869 -418 -2359 -1701 -2841 -2239 -2000 -959 -635 -408 -1209 -2384 -2517 -2467 -2302 -3035 -3348 -1929 -950 -50 714 2991 921 -975 -2242 -1566 -668 -895 -731 311 1742 3358 3452 4014 2659 2699 232 747 -1841 2348 1825 1224 604 214 -22 -260 -372 763 1681 -784 779 -877 -2157 -4312 SS 20241021T121707.5Z 9060.511892 259 1 51.60 2 80.81 112.45 47.03 273.91 0.00 1 0.00 1 0 17 5.298e-01 1.259e-02 4.632e-02 1.622e-03 6.788138e-01 8.808785e-04 8.373204e-03 -6.000000e+00 3.142039e-01 225.60 -2.00 3.48 -2.00 321.07 0.00e+00 4.377077e-03 4.267367e-04 5.966961e-03 -6.000000e+00 1.417054e-02 284.62 -2.00 20.00 -2.00 320.47 0.00e+00 5.942 0.004 302.00 328.00 3 5.3627e-01 2.9802e-03 7.3672e-02 -6.0000e+00 7.7514e-01 1.4742e-01 3.9690e-03 4.9108e-02 -6.0000e+00 8.4242e-01 -2.4405e-01 3.7563e-03 2.3869e-02 -6.0000e+00 5.0377e-01 9.3156e-02 1.7898e-03 6.1872e-03 -6.0000e+00 2.1061e-01 4.4531e-04 -1.0543e-04 4.7760e-05 1.6590e-04 -6.0000e+00 1.6391e-02 9.9460e-03 -1.6005e-05 12 8 8 10 0 0 13.93 23.38 0.69 0.00995 0.00915 229 37 1 5 0 225.280 26.21 20.00 23.38 20.92 5.4 963.69 -240097 -180252 -144462 -167408 -168752 -203433 -128040 -181030 -136501 -142513 -124616 -117775 -107755 -97851 -85633 -55251 -57822 -47725 -49038 -38370 -32157 -36531 -34544 -32688 -25242 -23992 -40972 -35246 -35751 -35488 -25232 -19770 5033 -16868 -12204 -4345 -9112 -7418 4171 5789 831 9990 6397 8988 86 9371 7628 6270 6297 9442 6492 7728 10250 9887 7280 7358 4036 2567 1764 2314 3671 5577 4942 5324 5131 2007 3721 1078 3374 4163 3447 3345 1753 -82 -317 -3055 -2141 -3188 -3091 -3455 -1538 -1777 -1643 -1348 -594 376 848 1306 1231 606 367 -1230 -1405 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