File name: Pandora75s1_EssexMD_20251120_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20251121T045910.6Z 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_20251120_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: 20251120 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 20251120T125031.3Z 9455.535084 66 1 52.53 2 81.59 124.33 87.49 126.78 0.00 1 0.00 1 0 17 5.393e-01 2.796e-02 1.768e-01 6.275e-03 6.332723e-01 3.392341e-03 9.900906e-03 -6.000000e+00 3.192806e-01 223.50 -2.00 3.48 -2.00 321.26 0.00e+00 1.413813e-02 1.597974e-03 1.041616e-02 -6.000000e+00 1.450789e-02 281.20 -2.00 20.00 -2.00 320.70 0.00e+00 6.434 0.005 302.00 328.00 3 2.3402e+00 1.1387e-02 8.3579e-02 -6.0000e+00 7.8470e-01 5.2858e-01 1.4218e-02 5.9543e-02 -6.0000e+00 8.5528e-01 -7.7825e-01 1.1526e-02 2.9989e-02 -6.0000e+00 5.0976e-01 3.3565e-01 5.5564e-03 9.4938e-03 -6.0000e+00 2.1304e-01 4.4811e-05 -7.2511e-04 1.9512e-04 3.2385e-04 -6.0000e+00 1.6877e-02 1.5970e-02 -8.4206e-05 12 8 8 10 0 0 98.85 23.27 0.74 0.01597 0.01052 27 4 1 5 0 1945.070 26.11 20.00 23.27 14.64 7.6 929.04 -180747 -51905 900000 271356 -73842 -47683 900000 -106751 -101458 36714 -54133 -27921 57130 900000 19105 30890 17523 -5627 22556 162 105567 14413 3723 -7415 -9776 38124 -17836 -15311 9605 426301 21908 29345 49438 56406 69282 78432 37249 -19016 64634 53210 16092 -2352 43408 24205 8684 42338 29468 22988 26793 37651 28738 15844 30549 44326 12434 31015 11811 2077 1910 213 21420 21553 15924 6807 16012 3342 13914 1979 11126 7932 2530 11608 -33 -6917 -3887 -2660 -1987 6670 -3724 -6284 -3369 -5688 -2992 -594 -3398 -1328 -392 383 212 -1585 -2274 -1317 -2165 -6034 -4203 -772 -542 -1438 -1661 -789 -2162 -2976 -2527 -2638 -3781 -4229 -1727 -367 286 1175 3644 91 -52 -1575 -507 1549 -775 177 1006 1582 2884 2743 2198 1204 2289 -1382 1025 -1688 2748 1645 308 -31 -158 -422 -171 -400 -332 701 -1174 1369 -474 -783 -2021 -16683 -1501 900000 1660 -2299 -1034 900000 -3977 -3611 327 -1204 -528 572 900000 446 756 546 -238 753 7 1526 497 139 -305 -448 1073 -862 -702 347 2607 898 1310 2026 2243 2331 2351 1777 -1791 3044 3189 1526 -283 3452 2398 1025 3651 2956 2531 2950 3938 3568 2442 4372 5856 2335 4894 2254 428 384 43 3708 4113 3623 1874 4192 981 3642 602 3362 2770 1011 4366 -14 -2881 -1434 -878 -619 1962 -1369 -2790 -1690 -3302 -1843 -380 -2169 -881 -270 268 148 -1087 -1622 -876 -1418 -4296 -2999 -618 -503 -1529 -1898 -891 -2331 -2959 -2344 -2475 -3807 -4546 -1933 -440 375 1706 5185 140 -80 -2395 -730 2321 -1108 262 1567 2527 4514 4175 3258 1897 3436 -2088 1504 -2482 4322 2921 605 -65 -325 -921 -395 -967 -821 1737 -2925 3184 -1061 -1674 -4312 SS 20251120T130616.9Z 9455.546029 71 1 52.59 2 79.12 127.13 85.19 129.36 0.00 1 0.00 1 0 17 3.758e-01 2.349e-02 1.853e-01 6.020e-03 5.359931e-01 3.195399e-03 7.820054e-03 -6.000000e+00 2.225674e-01 223.50 -2.00 3.48 -2.00 320.65 0.00e+00 8.292495e-03 1.305402e-03 6.765511e-03 -6.000000e+00 1.044286e-02 281.20 -2.00 20.00 -2.00 320.04 0.00e+00 5.104 0.002 302.00 328.00 3 3.6750e+00 9.9612e-03 6.3492e-02 -6.0000e+00 5.4688e-01 2.2340e-01 1.2341e-02 4.2819e-02 -6.0000e+00 5.9615e-01 -2.9066e-01 1.0575e-02 2.1881e-02 -6.0000e+00 3.5524e-01 1.2406e-01 5.2388e-03 6.6297e-03 -6.0000e+00 1.4900e-01 4.6733e-05 -4.0145e-04 1.9260e-04 1.8619e-04 -6.0000e+00 1.1872e-02 1.6045e-02 -1.1612e-04 12 9 8 11 32 0 99.51 23.26 1.02 0.01605 0.01303 21 3 1 5 0 2504.220 26.11 19.99 23.26 15.45 7.5 933.26 -205043 58857 900000 900000 -73939 -49530 900000 -131565 -104834 56887 31808 25057 900000 -55072 83520 -5130 -28006 14201 -24200 10829 140295 95280 6065 23179 -11944 124573 10604 -35642 -1949 159963 -265 12397 39036 -4712 69756 32075 29547 -22614 24146 41476 5651 34638 15875 32809 -257 14979 7551 9363 8989 12656 18848 121 16138 -2303 8409 12225 6436 -5338 -3888 -146 10967 12511 7761 2820 8771 3104 2573 -465 4611 6771 1604 4527 -2641 -3979 -4087 -1095 171 1653 -2993 -5778 -663 -3792 -4500 -1745 -4325 -518 -1152 -373 10 936 -377 -1061 -1229 -3026 -2401 -770 580 -1365 1980 -265 -2072 -3324 -1687 -2582 -2487 -1098 -812 1237 177 1131 3809 806 -36 -1134 -1189 1712 844 -285 936 1539 2065 671 1091 478 1409 -1487 1288 -1656 1907 713 -1114 -553 -118 -373 -161 -450 -558 1206 -523 1117 313 -406 -1633 -14652 345 900000 900000 -1538 -766 900000 -4981 -3243 364 271 254 900000 -1909 980 -172 -1314 475 -1263 413 1481 1565 245 816 -617 1681 448 -2342 -91 1595 -15 720 1946 -381 2619 1750 1785 -2653 2096 3504 756 3698 2142 3849 -43 2188 1209 1505 1497 2146 3262 28 3389 -620 2121 3041 1714 -1585 -1117 -40 2850 3515 2554 1065 3221 1180 966 -184 1891 3047 826 2348 -1452 -2098 -1983 -468 68 657 -1380 -3179 -399 -2645 -3120 -1253 -3402 -416 -978 -322 9 765 -291 -851 -952 -2459 -1947 -702 598 -1608 2398 -326 -2434 -3632 -1713 -2690 -2752 -1270 -995 1593 251 1601 5668 1279 -57 -1734 -1723 2544 1280 -420 1439 2435 3242 1041 1633 756 2116 -2219 1845 -2568 2885 1202 -2063 -1075 -239 -741 -337 -988 -1257 2704 -1181 2386 642 -869 -3499 SS 20251120T131149.2Z 9455.549875 74 1 26.04 2 78.27 128.13 84.40 130.28 0.00 1 0.00 1 0 17 3.610e-01 1.476e-02 1.430e-01 4.691e-03 5.118001e-01 2.457537e-03 6.067212e-03 -6.000000e+00 2.121240e-01 223.50 -2.00 3.48 -2.00 320.27 0.00e+00 5.767641e-03 8.913076e-04 2.311738e-03 -6.000000e+00 9.651517e-03 281.20 -2.00 20.00 -2.00 319.64 0.00e+00 4.764 0.002 302.00 328.00 3 3.1046e+00 7.4107e-03 5.4273e-02 -6.0000e+00 5.2140e-01 1.0962e-01 9.0343e-03 2.7095e-02 -6.0000e+00 5.6807e-01 -1.2893e-01 7.6582e-03 1.5891e-02 -6.0000e+00 3.3968e-01 4.6258e-02 3.8725e-03 6.7837e-03 -6.0000e+00 1.4244e-01 1.2047e-04 -3.9509e-04 1.4782e-04 1.0646e-04 -6.0000e+00 1.1179e-02 1.5015e-02 -1.4005e-04 12 9 9 12 1 1 99.95 23.26 0.42 0.01502 0.01205 18 6 1 5 0 1370.120 26.11 20.00 23.26 15.54 7.5 933.56 -185496 -93975 900000 -807 -96798 -98315 66468 -107010 -87273 -25622 -76239 -18184 24942 277508 16606 -6475 -25305 9588 -27936 -19146 25804 16190 -10288 264 -3877 3356 -9939 3360 -14405 25142 2963 -340 17651 1312 2320 3346 397 -10045 10718 3004 1708 16082 8008 7641 -2136 4513 4533 2256 3857 8221 4742 1917 5412 8832 3732 6155 -184 -1457 -3361 -2851 2252 3213 3046 4178 2692 1181 2710 -1726 2873 3849 487 3640 -156 -3209 263 -1478 -3169 -245 -465 -4088 -5499 -4308 -2320 -1598 -1602 -65 239 1175 970 413 -772 -419 -1316 -2069 -895 634 1147 -217 816 433 -1291 -1365 -1052 -816 -813 -1225 -43 -102 744 1331 1258 190 598 -936 -6 526 -1142 279 674 589 978 744 640 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