File name: Pandora75s1_EssexMD_20240521_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T064915.2Z 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_20240521_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: 20240521 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 20240521T104325.5Z 8907.446822 183 1 52.31 2 80.82 71.18 116.38 270.73 0.00 1 0.00 1 0 17 6.187e-01 2.106e-02 2.724e-01 6.366e-03 7.788096e-01 3.702410e-03 8.901736e-03 -6.000000e+00 3.788009e-01 231.57 -2.00 3.48 -2.00 321.68 0.00e+00 1.258108e-03 2.123814e-03 6.900058e-03 -6.000000e+00 1.820019e-02 285.28 -2.00 20.00 -2.00 321.13 0.00e+00 5.947 0.004 302.00 328.00 3 2.6873e+00 1.4070e-02 8.1028e-02 -6.0000e+00 9.4914e-01 3.4832e-01 1.9984e-02 6.3182e-02 -6.0000e+00 1.0274e+00 -5.6338e-01 1.9233e-02 2.8033e-02 -6.0000e+00 6.0856e-01 2.2808e-01 8.6853e-03 6.4372e-03 -6.0000e+00 2.5361e-01 4.4268e-05 -2.5993e-04 1.9266e-04 1.5330e-04 -6.0000e+00 1.9635e-02 4.3953e-03 -2.7621e-05 12 8 8 10 0 0 95.86 23.53 1.03 0.00440 0.00244 30 5 1 5 0 1743.350 26.32 20.00 23.53 25.36 4.2 1003.35 -244422 65104 900000 900000 -99672 -209659 900000 -122291 -262531 900000 -170224 18497 900000 900000 -105504 -95914 -102516 -45281 -30716 -116778 80842 900000 -32319 -28400 -27789 184751 -64960 -52121 -25474 900000 -28269 -29778 77808 -25215 88773 313919 6484 -24409 131987 35891 28257 72262 34897 1797 8405 46168 22631 39298 11886 57240 38473 14279 16577 59550 27068 47530 107 2119 20234 -806 15532 24050 14311 16924 8499 -3076 5103 8267 9648 10110 2734 17004 -2492 911 133 7583 2491 9405 -3895 -13586 -258 -4392 -3299 492 -2074 -753 -843 1010 1899 -421 -1636 1681 -719 -2262 -7086 601 -712 -203 1978 -175 -2687 -3212 -2282 -2391 254 -4167 -657 383 -57 444 2479 580 -25 -1401 -1997 1552 -41 384 -873 836 1321 1103 2588 -515 428 353 305 170 749 -60 433 -931 -203 -338 461 64 100 1355 -967 620 1 -344 -1759 -5234 404 900000 900000 -618 -3426 900000 -965 -9320 900000 -2782 115 900000 900000 -2021 -2000 -2600 -714 -450 -4211 501 900000 -528 -480 -501 1145 -1794 -1234 -505 900000 -736 -941 965 -938 1045 1946 189 -1135 1554 1313 1261 2240 1644 120 531 2032 1291 1973 833 2767 2504 1328 1665 4245 2852 4272 16 306 2370 -114 1925 2996 2226 2874 1670 -685 1060 1753 2237 2651 847 4764 -837 278 37 1791 588 2145 -1149 -5246 -103 -2091 -1718 265 -1227 -467 -498 660 1224 -268 -992 937 -405 -1371 -4644 426 -598 -193 1999 -181 -2699 -2957 -1931 -2023 221 -4025 -654 410 -68 598 3333 847 -37 -2077 -2868 2291 -57 557 -1348 1301 2016 1626 3953 -784 622 499 430 256 1163 -107 845 -1988 -423 -755 1091 159 255 3447 -2482 1496 2 -744 -3784 SS 20240521T105408.7Z 8907.454267 188 1 51.98 2 78.85 72.77 118.40 272.37 0.00 1 0.00 1 0 17 4.769e-01 1.225e-02 1.249e-01 2.768e-03 6.682575e-01 1.522776e-03 8.086619e-03 -6.000000e+00 2.893411e-01 231.57 -2.00 3.48 -2.00 320.99 0.00e+00 4.417368e-03 7.132591e-04 5.303914e-03 -6.000000e+00 1.279133e-02 285.28 -2.00 20.00 -2.00 320.37 0.00e+00 4.987 0.002 302.00 328.00 3 2.4004e+00 5.0852e-03 6.5286e-02 -6.0000e+00 7.2392e-01 9.1572e-02 6.7190e-03 4.6035e-02 -6.0000e+00 7.8300e-01 -1.8073e-01 6.3396e-03 2.2880e-02 -6.0000e+00 4.6617e-01 6.4936e-02 3.0307e-03 6.1773e-03 -6.0000e+00 1.9288e-01 1.6631e-04 -9.9520e-06 8.2411e-05 1.4412e-04 -6.0000e+00 1.4777e-02 3.6020e-03 -2.2548e-05 12 8 8 10 0 0 73.07 23.53 0.65 0.00360 0.00353 66 11 1 5 0 787.480 26.32 20.01 23.53 26.32 4.1 1009.49 -213966 -208260 47739 -94743 -136518 -156256 -111434 -140270 -178033 -127538 -148170 -104259 -86231 -85157 -66425 -101921 -36024 -13494 -65953 -60990 -5337 -20918 -49138 -43958 -46759 -9893 -29541 -30339 -36580 -3606 -15059 -30490 3024 -20594 -13546 -4872 -12472 -11437 20245 6124 5367 3572 6851 1213 448 10028 5557 7667 2133 12261 5544 4409 5109 12445 5779 12287 -347 1236 2100 536 4857 5544 6099 5229 4596 -425 1211 581 2585 3726 1113 5167 103 1192 -118 -1015 -1958 -1941 -4286 -5054 -1127 -1922 -2415 -927 -436 676 414 1610 1322 81 555 -848 -1742 -1872 -1958 -226 765 686 307 -323 -1159 -2007 -1731 -1548 -1870 -1496 -754 -371 443 1202 1426 385 342 -348 -879 195 -447 265 662 298 887 933 1057 458 298 -13 166 429 134 147 -417 -539 -557 -148 -112 34 397 684 -116 534 -427 -348 -829 -3307 -3628 129 -581 -1206 -1649 -793 -1480 -3058 -1439 -2218 -1266 -1094 -1379 -1129 -2998 -632 -211 -1905 -1778 -92 -429 -1393 -1269 -1489 -230 -853 -876 -1135 -88 -484 -1366 112 -1039 -636 -212 -640 -682 1066 441 442 325 638 124 47 985 588 826 256 1436 771 693 878 2163 1143 2378 -78 274 454 117 1058 1318 1630 1569 1465 -142 399 201 964 1416 477 2224 46 502 -51 -401 -739 -750 -1895 -2407 -603 -1180 -1638 -663 -333 542 320 1265 1039 67 435 -635 -1284 -1438 -1681 -202 784 798 356 -377 -1288 -2229 -1790 -1605 -2059 -1740 -926 -452 589 1769 2132 612 546 -542 -1315 302 -653 402 1053 491 1441 1468 1605 725 454 -20 243 662 215 264 -768 -1062 -1162 -308 -248 79 937 1629 -275 1211 -925 -765 -1802 SS 20240521T110029.4Z 8907.458674 191 1 51.47 2 77.67 73.70 119.60 273.36 0.00 1 0.00 1 0 17 3.691e-01 1.056e-02 8.317e-02 1.882e-03 6.177776e-01 1.024149e-03 7.367403e-03 -6.000000e+00 2.239265e-01 231.57 -2.00 3.48 -2.00 320.59 0.00e+00 3.952927e-03 4.188161e-04 3.868353e-03 -6.000000e+00 9.899159e-03 285.28 -2.00 20.00 -2.00 319.92 0.00e+00 4.547 0.002 302.00 328.00 3 2.2115e+00 3.2329e-03 5.8073e-02 -6.0000e+00 5.6026e-01 4.3540e-02 4.1150e-03 3.8368e-02 -6.0000e+00 6.0597e-01 -1.0932e-01 3.7233e-03 1.9695e-02 -6.0000e+00 3.6077e-01 3.5282e-02 1.8312e-03 5.7086e-03 -6.0000e+00 1.4928e-01 3.2143e-04 -1.1616e-04 5.6392e-05 1.1149e-04 -6.0000e+00 1.1436e-02 3.3939e-03 -1.8596e-05 12 8 8 10 0 0 69.19 23.53 0.66 0.00339 0.00252 99 16 1 5 0 519.860 26.32 20.00 23.53 26.88 4.1 1013.44 -157575 -159531 35939 -99014 -67097 -168355 -89699 -144255 -130978 -88739 -119152 -24821 -58710 -48669 -75713 -31005 -49404 -18289 -30107 -43223 -3257 -18813 -12114 -25137 -9145 -16941 -17216 -24460 -24568 -6388 -10146 -15608 553 -13134 -14492 -1611 -6142 855 -1957 4966 -1398 3506 3132 334 -250 3504 2480 1710 3772 5348 3266 2162 3260 8718 3973 6071 -149 1379 148 800 951 3988 3253 4145 2451 577 1428 395 3375 2226 2230 2297 669 231 -465 -2071 -3037 -2689 -3555 -2962 -2071 -1847 -1978 -1370 -1085 224 718 1210 1223 537 664 -701 -878 -1646 -892 -172 555 469 310 -296 -1356 -1414 -1543 -706 -1664 -1263 -656 -263 498 915 1465 742 349 -201 -738 -106 -110 163 254 507 746 884 1039 565 233 -106 -467 236 150 -127 -385 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