File name: Pandora75s1_EssexMD_20250726_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250727T051809.5Z 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_20250726_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: 20250726 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 20250726T105018.4Z 9338.451602 72 1 52.01 2 82.01 71.53 100.78 60.65 0.00 1 0.00 1 0 25 6.375e-01 3.655e-02 2.782e-01 1.062e-02 6.967808e-01 6.031309e-03 1.115514e-02 -6.000000e+00 3.933060e-01 232.40 -2.00 3.48 -2.00 321.76 0.00e+00 1.780424e-02 3.279160e-03 1.650228e-02 -6.000000e+00 1.806110e-02 290.71 -2.00 20.00 -2.00 321.13 0.00e+00 6.715 0.005 302.00 328.00 3 2.5587e+00 2.3296e-02 1.1218e-01 -6.0000e+00 9.8617e-01 8.9881e-01 2.8096e-02 1.0113e-01 -6.0000e+00 1.0680e+00 -1.3992e+00 1.6763e-02 2.7415e-02 -6.0000e+00 6.3314e-01 5.9648e-01 8.3102e-03 6.9938e-03 -6.0000e+00 2.6136e-01 2.4426e-05 -1.5598e-03 3.3116e-04 3.2305e-04 -6.0000e+00 2.0184e-02 1.1789e-02 -1.3176e-04 12 8 8 10 0 0 98.70 23.51 0.75 0.01179 0.00007 29 5 1 5 0 1793.350 26.21 19.99 23.51 34.72 6.8 1062.52 -104582 96357 900000 228341 -23608 -34505 900000 -23440 -16964 -9498 122282 48461 900000 228422 152730 28322 67951 110538 46748 44737 159783 243294 101719 83802 21346 142765 -960 1943 -6991 900000 67738 23795 257265 41605 900000 90638 44680 27558 145961 124137 17642 145566 73298 120021 40663 71409 52415 55739 30277 87570 40172 56765 79240 106603 36899 63133 8053 6154 -624 10009 24063 34108 31414 18676 16893 18841 21442 15349 32106 23569 8495 31533 -167 -10117 8881 3773 9749 16670 2875 -11769 -698 -6493 2935 -2784 -2793 -5184 -6010 -1514 589 -4228 -848 -2757 -1791 -8832 -7583 -897 229 -5368 2383 -3519 -4000 -7801 -3293 -3203 -7164 -5678 -3397 1077 -255 601 6181 483 -1148 890 245 1653 -1545 -677 -1257 4059 4360 1739 4367 1074 1802 -1533 4213 -2857 4956 1133 721 743 -1015 -162 -209 -1135 -423 1396 -612 1603 -639 -1368 -2035 -15330 2266 900000 2363 -1399 -1947 900000 -992 -638 -313 1265 912 900000 2364 1868 1385 2429 2703 2199 2104 2255 2517 2201 2050 924 1746 -47 88 -342 900000 1975 1253 2662 2074 900000 2473 1975 1581 3172 3725 1643 3916 4171 4347 3282 4286 3851 4037 2914 4984 3949 5110 6067 6508 4620 6075 1325 1000 -105 1491 3237 4553 4843 3614 3478 3763 4127 3224 6179 5512 2496 7570 -54 -3360 2215 894 2058 3381 756 -4238 -263 -2942 1324 -1417 -1514 -3052 -3738 -925 352 -2559 -467 -1461 -919 -5100 -4880 -632 187 -5310 2364 -3386 -4027 -7467 -2811 -2744 -6775 -5641 -3536 1168 -283 745 8024 704 -1717 1273 339 2211 -2178 -996 -1969 6239 6644 2642 6256 1537 2470 -2112 5454 -4228 7632 2041 1436 1589 -2345 -396 -499 -2857 -1083 3551 -1569 3847 -1611 -3291 -4829 SS 20250726T111844.0Z 9338.471343 85 1 51.60 2 76.74 75.75 96.13 65.40 0.00 1 0.00 1 0 17 3.006e-01 1.135e-02 1.185e-01 2.520e-03 5.283437e-01 1.358431e-03 6.403915e-03 -6.000000e+00 1.827964e-01 232.40 -2.00 3.48 -2.00 320.35 0.00e+00 2.499301e-03 5.152989e-04 3.614269e-03 -6.000000e+00 8.248247e-03 290.71 -2.00 20.00 -2.00 319.57 0.00e+00 4.248 0.001 302.00 328.00 3 3.0240e+00 4.2493e-03 5.3234e-02 -6.0000e+00 4.5743e-01 1.6874e-02 5.2797e-03 3.5208e-02 -6.0000e+00 4.9413e-01 -6.4206e-02 4.3579e-03 1.5637e-02 -6.0000e+00 2.9495e-01 2.1392e-02 2.1778e-03 3.6374e-03 -6.0000e+00 1.2240e-01 2.1033e-04 -4.5862e-05 7.8750e-05 7.5171e-05 -6.0000e+00 9.3200e-03 9.9887e-03 -3.3062e-05 12 8 8 10 0 0 99.96 23.52 0.50 0.00999 0.00964 87 14 1 5 0 593.040 26.21 20.00 23.52 34.91 6.7 1063.02 -193787 -69456 161029 -16338 -92965 -112841 73488 -99127 -59066 -70206 -31994 -49728 -6321 -38975 -34257 -21342 -19722 -11297 -13430 -15007 14043 7432 2506 -7642 -8320 -614 -12897 -19382 -12082 1816 -1561 -6986 7959 -13154 -838 -1849 487 -1796 3225 1361 -1136 4195 3828 5516 -299 3785 1250 2450 864 3861 1712 987 4422 5582 3864 4678 609 1079 -1542 -560 2746 2473 2338 3969 1363 266 1008 970 2144 2708 969 2453 616 -1793 -163 -1688 -951 -1408 -2252 -2794 -1744 -1991 -2388 -1400 -1022 278 -371 1323 1186 133 414 -288 -650 -1603 -904 -14 634 90 706 -770 -1378 -1840 -1633 -1379 -1107 -1613 -410 81 652 1501 1667 374 154 -225 -494 269 176 123 204 644 635 591 1181 704 537 -517 -133 -592 248 -38 -627 -283 -576 -314 60 -35 564 468 190 409 -163 -450 -879 -7230 -869 396 -128 -1475 -2143 253 -1949 -958 -1380 -456 -941 -93 -987 -1010 -650 -664 -383 -502 -601 435 250 92 -334 -393 -28 -681 -1072 -615 85 -86 -467 516 -1119 -62 -140 40 -176 362 184 -177 667 642 935 -55 676 233 459 170 781 386 247 1166 1568 1167 1457 202 357 -517 -186 917 904 952 1578 575 111 410 405 965 1366 545 1420 362 -1028 -85 -812 -426 -636 -1124 -1619 -1151 -1483 -1945 -1105 -861 246 -348 1254 1123 122 356 -234 -554 -1410 -793 -14 711 105 871 -957 -1625 -2176 -1823 -1562 -1330 -1906 -507 106 927 2315 2569 604 247 -347 -776 405 267 196 318 1039 1026 933 1796 1113 815 -764 -192 -899 380 -63 -1150 -546 -1090 -626 126 -78 1195 1006 406 901 -344 -913 -1772 SS 20250726T120536.9Z 9338.503899 101 1 51.78 2 67.84 82.65 88.05 72.80 0.00 1 0.00 1 0 17 2.663e-02 7.576e-03 3.834e-03 7.612e-04 3.426944e-01 4.031439e-04 3.983699e-03 -6.000000e+00 1.620010e-02 232.40 -2.00 3.48 -2.00 318.09 0.00e+00 1.121633e-03 7.431573e-05 6.472973e-04 -6.000000e+00 7.307084e-04 290.71 -2.00 20.00 -2.00 317.19 0.00e+00 2.628 0.000 302.00 328.00 3 2.7143e+00 1.0933e-03 3.1834e-02 -6.0000e+00 4.0540e-02 -1.6907e-03 1.2406e-03 1.7856e-02 -6.0000e+00 4.3785e-02 -3.9768e-03 7.7022e-04 8.5792e-03 -6.0000e+00 2.6137e-02 -4.5413e-03 3.8469e-04 2.3191e-03 -6.0000e+00 1.0851e-02 1.6762e-03 1.2133e-04 2.4113e-05 2.8036e-05 -6.0000e+00 8.2555e-04 9.1496e-03 4.9621e-05 11 9 0 11 8 0 99.71 23.52 0.60 0.00915 0.01006 259 42 1 5 0 199.130 26.21 20.01 23.52 35.86 6.8 1071.12 -13349 -7179 -910 -8013 -9222 -12490 -6968 -5083 -7246 -5614 -8162 -3953 -5879 -3196 -1583 -1102 -470 373 525 -146 1690 476 1812 168 814 -278 -998 -2341 -933 -811 -969 -324 -111 -1900 -4040 -3146 -3285 -1720 -29 -130 -775 -44 475 259 503 369 320 -314 46 413 619 1048 1311 1454 745 1347 640 402 57 661 1278 1991 2438 1880 1135 84 -193 -54 866 1312 956 1072 675 285 -167 -991 -1647 -1957 -2136 -1815 -1760 -2060 -2073 -1558 -648 -259 383 799 756 618 353 -196 -620 -496 -402 -26 460 528 111 -429 -1156 -1413 -1023 -596 -970 -1099 -623 -290 568 894 848 596 329 -80 -222 -49 132 424 505 363 448 556 713 658 413 89 78 81 252 11 -319 -466 -246 -76 105 66 455 358 58 77 -366 -734 -769 -816 -463 -58 -529 -570 -769 -424 -336 -543 -442 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