File name: Pandora75s1_EssexMD_20241028_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T133934.2Z 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_20241028_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: 20241028 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 20241028T121258.8Z 9067.509014 165 1 51.20 2 83.05 113.65 44.40 135.49 0.00 1 0.00 1 0 17 5.418e-01 2.647e-02 2.341e-01 6.197e-03 8.280191e-01 3.484113e-03 1.088092e-02 -6.000000e+00 3.227892e-01 225.01 -2.00 3.48 -2.00 322.00 0.00e+00 1.384096e-02 2.140191e-03 1.224791e-02 -6.000000e+00 1.534772e-02 283.78 -2.00 20.00 -2.00 321.49 0.00e+00 7.571 0.008 302.00 328.00 3 8.7903e-01 1.4003e-02 1.0302e-01 -6.0000e+00 7.9592e-01 9.4361e-01 1.7832e-02 7.3173e-02 -6.0000e+00 8.6625e-01 -1.3209e+00 1.4225e-02 3.1530e-02 -6.0000e+00 5.1586e-01 5.3596e-01 6.5632e-03 8.5588e-03 -6.0000e+00 2.1601e-01 5.1374e-05 -4.5252e-04 1.7807e-04 4.1455e-04 -6.0000e+00 1.6965e-02 1.2883e-02 -2.1620e-05 12 8 8 10 0 0 5.17 23.00 0.96 0.01288 0.00948 61 10 1 5 0 839.260 25.90 20.00 23.00 12.48 5.5 906.88 -180378 -59289 900000 -26141 -77416 -85896 900000 -28717 -76387 -88617 900000 -25913 249312 50047 14387 -18775 30675 79248 32838 24768 7550 152423 44451 52537 -18950 -1878 -11853 -62480 -2248 245678 85053 9638 193094 -7792 105833 81161 50913 5383 64809 112710 51677 125841 50149 81741 14960 78921 60350 24540 37371 72656 54876 38344 68245 77274 62036 53096 30050 17398 37954 16743 21942 31843 22803 25929 20283 -47 20268 22128 19439 20649 9364 23921 6384 -2011 8450 404 15317 12779 -1327 -7259 -1543 -1986 -1533 2283 -3429 -139 -991 4560 -1388 -2291 -812 -4001 -1863 -6718 -7556 -2042 -662 -1257 541 -2220 -1761 -4890 -4189 -4904 -4580 -5202 -2903 -1465 21 -6 1837 774 -1152 -1575 -1743 -746 71 -561 459 1230 3166 2773 3569 2080 1553 -263 1383 -1278 1652 1552 449 287 -148 599 -322 -87 -173 746 -224 434 -238 -1388 -1845 -13892 -1660 900000 -488 -2083 -2217 900000 -378 -1594 -2044 900000 -356 1506 522 269 -577 640 1088 739 598 207 921 757 808 -583 -47 -319 -2676 -53 1484 1121 323 1166 -364 1662 1569 1384 257 1957 2383 2185 2660 2332 2814 1012 2860 2698 1631 2302 3379 3348 3034 4328 4761 4609 4362 3086 1965 3347 1790 2306 3347 2989 3696 3247 -9 3305 3716 3687 4341 2381 5389 1662 -527 1797 84 2627 2370 -327 -2280 -541 -800 -676 1034 -1748 -72 -542 2410 -773 -1238 -407 -1974 -898 -3652 -4769 -1447 -497 -1093 501 -2121 -1576 -4092 -3214 -3778 -3712 -4510 -2643 -1444 23 -8 2533 1155 -1789 -2418 -2596 -1083 104 -872 742 2015 4989 4214 5189 2970 2159 -363 1894 -1951 2808 2766 902 626 -348 1380 -798 -225 -455 1966 -586 1069 -597 -3321 -4355 SS 20241028T122330.2Z 9067.516321 168 1 51.70 2 81.20 115.43 43.07 138.69 0.00 1 0.00 1 0 17 5.618e-01 1.637e-02 6.319e-02 2.300e-03 7.271419e-01 1.252100e-03 9.418409e-03 -6.000000e+00 3.323289e-01 225.01 -2.00 3.48 -2.00 321.31 0.00e+00 7.930189e-03 6.458151e-04 8.013487e-03 -6.000000e+00 1.497354e-02 283.78 -2.00 20.00 -2.00 320.74 0.00e+00 6.178 0.004 302.00 328.00 3 8.5248e-01 4.3743e-03 7.9862e-02 -6.0000e+00 8.1898e-01 2.9146e-01 5.9249e-03 5.7375e-02 -6.0000e+00 8.9067e-01 -4.4908e-01 5.5956e-03 2.9857e-02 -6.0000e+00 5.3258e-01 1.8080e-01 2.6185e-03 8.8664e-03 -6.0000e+00 2.2265e-01 2.4037e-04 -1.5368e-04 6.6216e-05 2.3489e-04 -6.0000e+00 1.7378e-02 1.2779e-02 1.1177e-06 12 8 8 10 0 0 58.27 22.95 0.57 0.01278 0.01162 145 24 1 5 0 356.500 25.79 20.00 22.95 13.38 5.5 912.65 -266498 -178165 -136030 -153056 -194606 -198958 -145560 -171440 -176403 -185836 -134371 -140251 -76813 -116155 -61931 -77045 -36154 -42593 -7618 -42587 -39437 -31022 -15738 -32109 -52671 -30741 -50012 -39580 -43164 -10179 714 -19007 21780 -8083 -663 -2437 3780 -1335 14572 9468 9149 12042 19948 15612 5836 21441 11813 10827 13559 19243 9935 12704 15942 19883 12072 15821 7815 5457 4935 4865 5655 7167 6776 9001 8248 2456 5507 4535 4688 7290 4475 5965 1946 144 -102 -2436 -1595 -1803 -3725 -3515 -1860 -2130 -1359 -931 -796 70 337 1779 108 -718 -67 -2243 -2350 -2810 -3083 -787 -72 -85 -84 -1046 -1596 -2384 -1989 -1630 -1874 -1943 -1240 -399 168 855 1174 594 -51 -754 -847 -224 -161 337 443 902 1398 1728 1674 1226 814 -91 395 -231 735 278 -8 -371 -121 -223 -102 188 303 530 62 273 -495 -753 -1168 -8696 -2834 -1526 -1998 -3572 -3652 -1603 -2622 -3058 -3752 -1726 -2202 -815 -2392 -947 -1665 -657 -917 -125 -1032 -938 -675 -300 -756 -1595 -772 -1537 -1083 -1249 -235 18 -695 611 -326 -25 -92 145 -63 696 559 607 837 1351 1142 482 1558 978 947 1226 1783 1123 1559 2081 2703 1877 2452 1334 945 839 823 991 1370 1480 2154 2108 668 1468 1281 1461 2504 1727 2352 785 56 -36 -799 -496 -585 -1401 -1568 -871 -1143 -795 -581 -529 49 246 1311 80 -520 -46 -1472 -1524 -1938 -2415 -704 -69 -92 -98 -1230 -1775 -2435 -1883 -1543 -1882 -2072 -1403 -487 210 1191 1802 901 -78 -1227 -1323 -339 -248 540 693 1438 2188 2801 2621 1860 1197 -131 565 -357 1179 505 -17 -750 -259 -509 -233 446 735 1296 149 630 -1156 -1673 -2571 SS 20241028T123633.2Z 9067.525384 173 1 51.54 2 78.94 117.70 41.54 142.88 0.00 1 0.00 1 0 17 3.949e-01 1.060e-02 2.481e-02 1.059e-03 6.238275e-01 5.631300e-04 7.527985e-03 -6.000000e+00 2.335936e-01 225.01 -2.00 3.48 -2.00 320.51 0.00e+00 3.256859e-03 2.295131e-04 3.956045e-03 -6.000000e+00 1.052467e-02 283.78 -2.00 20.00 -2.00 319.88 0.00e+00 5.029 0.002 302.00 328.00 3 7.2045e-01 1.7464e-03 6.1408e-02 -6.0000e+00 5.7566e-01 7.4524e-02 2.2106e-03 3.8175e-02 -6.0000e+00 6.2605e-01 -1.2647e-01 2.0094e-03 1.9214e-02 -6.0000e+00 3.7435e-01 4.3280e-02 9.9695e-04 5.4039e-03 -6.0000e+00 1.5650e-01 9.1773e-04 -6.5996e-05 3.1259e-05 1.0678e-04 -6.0000e+00 1.2215e-02 1.2501e-02 -3.5037e-06 12 8 8 10 0 0 93.19 22.90 0.58 0.01250 0.01200 302 49 1 5 0 170.640 25.79 20.00 22.90 14.71 5.5 922.44 -180723 -128695 -113990 -127574 -130353 -150400 -106638 -127184 -106822 -106018 -102255 -94962 -76744 -68178 -52975 -40680 -34150 -32569 -20091 -24741 -22321 -21976 -22314 -22633 -20430 -19383 -27119 -23517 -23306 -16260 -16942 -10942 -3145 -9713 -8379 -10382 -6191 -6291 1036 2033 2640 3316 3235 3960 1138 5422 2961 947 1635 4952 3608 3926 5208 5332 4130 3951 2727 1574 1352 1233 1850 2368 4374 4417 3356 1341 1364 990 1771 2692 1850 2351 1155 250 -717 -2105 -2710 -2997 -2805 -2395 -1775 -1943 -1579 -1368 -829 -146 606 1174 780 546 196 -694 -1028 -1574 -983 -297 371 394 301 -554 -1358 -1848 -1426 -1050 -1351 -1366 -817 -190 624 977 957 653 138 -129 -441 -114 -6 361 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