File name: Pandora75s1_EssexMD_20241024_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T192737.7Z 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_20241024_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: 20241024 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 20241024T120859.8Z 9063.506247 267 1 52.13 2 82.90 111.92 18.79 217.01 0.00 1 0.00 1 0 17 4.812e-01 2.703e-02 2.626e-01 7.230e-03 8.039079e-01 4.157690e-03 1.014548e-02 -6.000000e+00 2.866306e-01 225.35 -2.00 3.48 -2.00 321.99 0.00e+00 1.345099e-02 2.588592e-03 9.478442e-03 -6.000000e+00 1.384835e-02 284.26 -2.00 20.00 -2.00 321.48 0.00e+00 7.440 0.007 302.00 328.00 3 1.3156e+00 1.6854e-02 9.4258e-02 -6.0000e+00 7.0655e-01 8.9501e-01 2.1561e-02 5.8912e-02 -6.0000e+00 7.6945e-01 -1.2608e+00 1.7543e-02 2.8450e-02 -6.0000e+00 4.5961e-01 5.1056e-01 8.0784e-03 9.5237e-03 -6.0000e+00 1.9358e-01 3.8723e-05 -6.9184e-04 2.1577e-04 3.6369e-04 -6.0000e+00 1.5489e-02 7.7347e-03 -7.6909e-05 12 8 8 10 0 0 57.92 23.77 1.29 0.00773 0.00254 45 7 1 5 0 1158.260 26.41 20.00 23.77 23.98 5.4 983.22 -180467 -20313 900000 900000 -62534 -49831 36783 -39402 -76734 40763 -78573 -52103 -1419 -1063 -25201 147966 64860 114420 7914 -3232 900000 68687 143363 31661 8849 900000 38414 -24858 -694 900000 26849 -27447 128829 63445 99468 900000 67498 16828 900000 101577 53289 178697 83886 114296 -3604 96546 42831 23309 28311 128892 19780 47777 40294 130108 56980 81217 26509 18539 22255 21681 25017 28688 28876 17640 31060 -14300 27179 8627 19705 26854 6961 23314 4336 2103 12725 8378 9616 12605 -6356 -11406 -2214 -2592 -1288 405 881 475 -2781 -551 2791 -3031 3156 -7665 -5751 -5958 -7023 536 1237 -1637 276 1271 -2562 -4712 -2690 -3882 -4868 -5391 -1798 -2081 -299 238 2660 -19 -656 -1691 -2010 211 -1359 -223 44 1315 1767 2513 3514 2429 2659 -687 1574 -1893 3013 1088 848 -291 25 180 -120 -338 -37 945 -425 991 -729 -718 -2311 -13554 -377 900000 900000 -1441 -893 259 -580 -1621 287 -1660 -934 -19 -18 -694 1042 955 1099 228 -103 900000 967 1009 608 210 900000 639 -748 -16 900000 636 -1335 1484 1462 1681 900000 1568 723 900000 2432 2251 2265 2835 2897 -299 2991 2322 1592 1934 3449 1727 3465 3405 4764 4494 5090 2856 2102 2335 2244 2589 3151 3599 2757 4505 -3282 4153 1658 3719 5294 1814 5302 1160 535 2625 1628 1760 2343 -1638 -3702 -773 -1040 -561 186 427 244 -1541 -305 1488 -1650 1520 -3913 -2859 -3168 -4322 362 977 -1392 250 1148 -2268 -3870 -2199 -3198 -4274 -4600 -1588 -2019 -320 288 3529 -28 -982 -2518 -2905 292 -1954 -333 68 2083 2740 3726 4975 3363 3556 -927 2083 -2798 4843 2033 1620 -609 56 429 -306 -903 -92 2376 -1156 2531 -1774 -1646 -5277 SS 20241024T121930.8Z 9063.513551 270 1 51.77 2 81.03 113.70 20.10 222.92 0.00 1 0.00 1 0 17 5.303e-01 1.579e-02 7.560e-02 2.281e-03 7.076820e-01 1.237884e-03 9.329685e-03 -6.000000e+00 3.144049e-01 225.35 -2.00 3.48 -2.00 321.24 0.00e+00 8.670790e-03 6.322492e-04 7.900360e-03 -6.000000e+00 1.416474e-02 284.26 -2.00 20.00 -2.00 320.66 0.00e+00 6.073 0.004 302.00 328.00 3 9.5817e-01 4.2852e-03 7.8022e-02 -6.0000e+00 7.7529e-01 2.5034e-01 5.7826e-03 5.5317e-02 -6.0000e+00 8.4261e-01 -3.9035e-01 5.4866e-03 2.9184e-02 -6.0000e+00 5.0389e-01 1.5581e-01 2.5824e-03 8.9478e-03 -6.0000e+00 2.1084e-01 2.4379e-04 -1.5456e-04 6.6483e-05 2.2717e-04 -6.0000e+00 1.6405e-02 5.7306e-03 -1.4690e-05 12 8 8 10 0 0 19.76 23.78 0.79 0.00573 0.00457 141 23 1 5 0 367.080 26.41 20.00 23.78 24.59 5.4 986.54 -273542 -189768 -58156 -136208 -118108 -214204 -154509 -171667 -176584 -115610 -150687 -125478 -110193 -86944 -99432 -40737 -55465 -26941 -41460 -49429 10394 -32436 19908 -32676 -35319 -29337 -43681 -45219 -22404 -8488 -24251 -21781 -2479 -1306 -11034 8568 -3973 1275 12573 8545 14942 12826 17164 17187 5912 11336 12679 4213 10520 18624 8117 10807 12321 22086 12026 14402 5031 6434 2435 4572 5147 6602 8759 7680 8218 1126 5855 2276 5563 6294 3823 4166 1004 329 -422 -1556 -4443 -1081 -3617 -3229 -2276 -2161 -1325 -1756 -683 282 159 845 619 -370 358 -2125 -2258 -2925 -2200 -739 217 167 -109 -651 -1593 -2162 -1808 -1657 -2141 -1929 -1041 -676 551 1150 1383 453 15 -617 -617 -330 -219 65 643 858 1134 1541 1472 1335 476 -6 308 -308 278 456 45 -356 -397 -135 -59 8 421 250 253 273 -441 -625 -1076 -9237 -3300 -294 -1487 -1003 -4548 -1843 -2603 -3035 -1145 -2255 -1675 -1604 -1319 -2192 -671 -1221 -497 -959 -1297 153 -729 270 -785 -911 -737 -1282 -1338 -538 -196 -788 -833 -90 -51 -466 297 -169 60 626 521 960 910 1233 1281 506 948 1083 409 1018 1798 966 1397 1724 3036 1934 2342 914 1145 441 807 943 1319 1948 1936 2186 323 1612 679 1768 2247 1532 1731 386 132 -156 -529 -1478 -360 -1397 -1473 -1097 -1188 -795 -1133 -466 202 119 649 475 -277 250 -1440 -1504 -2062 -1736 -614 208 183 -129 -777 -1811 -2254 -1746 -1600 -2197 -2096 -1197 -841 693 1613 2140 695 24 -940 -970 -503 -338 104 1008 1380 1799 2533 2339 2049 710 -9 445 -477 448 825 85 -715 -848 -305 -133 20 1016 612 611 632 -970 -1394 -2373 SS 20241024T123128.2Z 9063.521854 275 1 51.62 2 78.93 115.76 21.75 228.84 0.00 1 0.00 1 0 17 3.882e-01 1.067e-02 2.350e-02 9.937e-04 6.177200e-01 5.289394e-04 7.434332e-03 -6.000000e+00 2.301427e-01 225.35 -2.00 3.48 -2.00 320.49 0.00e+00 3.568823e-03 2.144476e-04 3.808875e-03 -6.000000e+00 1.036804e-02 284.26 -2.00 20.00 -2.00 319.85 0.00e+00 5.023 0.002 302.00 328.00 3 6.0361e-01 1.6395e-03 6.0985e-02 -6.0000e+00 5.6751e-01 6.8184e-02 2.0737e-03 3.7280e-02 -6.0000e+00 6.1678e-01 -1.2023e-01 1.8775e-03 1.9120e-02 -6.0000e+00 3.6884e-01 4.1207e-02 9.3278e-04 5.5860e-03 -6.0000e+00 1.5434e-01 1.0433e-03 -1.4572e-04 2.9452e-05 1.0673e-04 -6.0000e+00 1.2008e-02 5.5425e-03 -6.4768e-06 12 8 8 10 0 0 14.20 23.77 0.58 0.00554 0.00445 350 57 1 5 0 147.460 26.41 20.00 23.77 25.04 5.4 989.42 -184855 -119621 -113340 -104441 -138897 -133652 -120232 -125655 -117792 -103432 -91303 -93642 -59937 -84119 -54544 -41114 -29522 -32273 -30576 -24627 -17001 -19483 -21018 -12650 -22219 -10688 -27051 -18217 -27219 -12803 -14239 -12178 -1917 -8678 -6953 -8525 -3969 -4978 3595 203 1397 2947 2577 3514 1016 5181 2032 3236 542 5230 3163 4137 4579 4484 4277 4309 2934 655 949 195 2498 2858 4852 4324 2681 1556 1010 1262 1728 3095 1751 2437 1149 549 -605 -2174 -2401 -3320 -2843 -2573 -1463 -2031 -1705 -1663 -534 -226 452 1282 939 695 -5 -445 -1275 -1262 -1066 -394 357 333 258 -514 -1254 -1998 -1186 -1010 -1306 -1330 -798 -206 701 1034 891 574 137 -185 -483 -75 -77 278 474 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