File name: Pandora75s1_EssexMD_20240720_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240721T052114.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240720_L1_smca1c1d20221230p1-8.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: 20240720 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240720T110330.5Z 8967.460769 186 1 52.35 2 78.81 72.56 115.77 253.83 0.00 1 0.00 1 0 17 4.158e-01 1.855e-02 1.120e-01 3.799e-03 6.381687e-01 2.169506e-03 8.036887e-03 -6.000000e+00 2.572765e-01 232.58 -2.00 3.48 -2.00 320.77 0.00e+00 -1.238220e-03 9.297566e-04 5.391835e-03 -6.000000e+00 1.143202e-02 290.60 -2.00 20.00 -2.00 320.11 0.00e+00 4.971 0.002 302.00 328.00 3 2.7267e+00 7.0245e-03 6.6494e-02 -6.0000e+00 6.4449e-01 1.6585e-01 9.1524e-03 5.1801e-02 -6.0000e+00 6.9179e-01 -3.1457e-01 7.9697e-03 1.8594e-02 -6.0000e+00 4.1269e-01 1.3208e-01 3.8710e-03 7.2037e-03 -6.0000e+00 1.7610e-01 1.2431e-04 -1.2177e-03 1.1437e-04 7.0276e-05 -6.0000e+00 1.2821e-02 -3.3401e-02 2.2046e-04 12 8 8 10 0 0 97.42 23.82 0.72 -0.03340 -0.04255 33 5 1 5 0 1586.190 26.51 20.01 23.82 33.70 4.4 1049.24 -136578 -91588 -102475 -43305 -207045 -66378 -93534 -84757 -190185 -97238 -182448 -131556 -53613 19066 -82187 19900 -7096 -9316 83713 15682 23609 14329 53450 -31434 -8480 43871 50993 1839 -2207 -37959 10264 10696 -69 8472 26979 41178 -16672 8116 11486 -3649 9382 8109 11292 12347 16544 15213 12955 6811 11652 14968 5693 5906 19945 17856 5784 5260 3052 10088 5988 5754 -568 4934 1925 3163 2035 434 -1153 862 6150 6857 3250 4077 433 -1596 2647 3154 -4590 -4912 -2873 -3979 -1201 -7251 -1480 739 -48 -2561 1431 1512 317 99 -2792 -4150 -55 -1972 -2380 -524 -552 192 -577 333 -1864 -2730 -773 -959 -1344 -1417 -846 291 528 1192 1048 784 99 -116 -117 -8 670 -183 541 1040 304 1644 1850 629 992 -546 147 771 -286 -132 -87 -938 -727 -500 -6 254 533 820 -29 -43 -626 -1243 -2161 -1079 -1449 -335 -7669 -581 -1134 -1056 -7685 -1703 -7986 -3810 -848 180 -2601 295 -155 -228 868 337 481 324 851 -1269 -295 959 1058 61 -74 -1884 357 432 -4 427 1119 1479 -1161 517 859 -380 973 919 1297 1431 1851 1741 1536 878 1489 1974 907 1043 3361 3340 1303 1247 762 2350 1422 1349 -146 1297 583 1046 714 154 -411 312 2312 2900 1427 1861 204 -729 1173 1260 -1860 -2018 -1277 -2086 -647 -4722 -1000 524 -37 -2142 1208 1310 277 83 -2283 -3239 -40 -1511 -2030 -504 -560 219 -712 407 -2206 -2994 -778 -974 -1453 -1626 -1026 376 744 1710 1648 1298 165 -189 -180 -12 1004 -289 894 1768 518 2690 2922 969 1461 -789 209 1142 -475 -226 -163 -1886 -1539 -1048 -13 588 1266 1967 -68 -98 -1372 -2611 SS 20240720T110915.7Z 8967.464765 189 1 51.54 2 77.75 73.40 116.79 254.57 0.00 1 0.00 1 0 17 3.626e-01 1.252e-02 7.278e-02 2.751e-03 5.938079e-01 1.551299e-03 7.216693e-03 -6.000000e+00 2.243820e-01 232.57 -2.00 3.48 -2.00 320.51 0.00e+00 1.947028e-03 6.140180e-04 3.552031e-03 -6.000000e+00 9.970515e-03 290.60 -2.00 20.00 -2.00 319.81 0.00e+00 4.572 0.002 302.00 328.00 3 2.5622e+00 4.8477e-03 5.7826e-02 -6.0000e+00 5.6209e-01 8.0632e-02 6.1630e-03 3.8223e-02 -6.0000e+00 6.0334e-01 -1.5830e-01 5.3688e-03 1.7384e-02 -6.0000e+00 3.5993e-01 5.8152e-02 2.6753e-03 4.4343e-03 -6.0000e+00 1.5358e-01 2.2272e-04 -9.1610e-04 8.3593e-05 7.8817e-05 -6.0000e+00 1.1182e-02 -3.3071e-02 2.2626e-04 12 8 8 10 0 0 92.36 23.82 0.57 -0.03307 -0.03995 62 10 1 5 0 831.210 26.51 20.00 23.82 34.00 4.4 1051.82 -124878 -116588 -104491 -47940 -175487 -94744 -35730 -105932 -152640 -101285 -133597 -108656 -41657 -76727 -60273 -19836 -25177 -33949 -2344 -21891 21958 25819 2234 -17111 -14641 14376 3113 5865 1962 -40474 1302 -27926 -11571 -494 -1615 17372 -4282 5545 4767 -5861 3144 2651 91 9625 6391 8724 8438 6562 8015 5671 2279 3959 9175 10242 1267 1507 1875 4673 403 2346 204 3171 2846 3953 1901 -3623 1387 -494 3705 4040 1905 1661 691 -1244 -329 428 -2059 -3295 -2515 -2016 -1376 -4124 -1543 -1006 -717 -218 1015 1348 1139 484 -303 -2173 -221 -1827 -1839 -207 -97 502 68 -131 -1342 -1688 -954 -281 -1282 -945 -600 -346 502 1000 1138 517 355 -111 -231 7 431 -17 395 835 233 908 1270 414 468 -273 -193 235 -214 52 -350 -789 -562 -453 -267 368 473 892 112 -26 -638 -839 -1675 -1706 -1478 -386 -4750 -1109 -244 -1627 -4206 -1828 -3551 -2491 -648 -2120 -1746 -458 -696 -1129 -62 -740 495 568 65 -647 -581 451 112 201 69 -2291 56 -1865 -748 -31 -101 899 -300 412 432 -704 391 358 13 1314 915 1243 1227 996 1247 961 439 832 2003 2399 345 427 544 1320 117 662 61 1000 1008 1527 712 -1416 561 -191 1497 1840 975 893 373 -653 -158 185 -940 -1535 -1164 -1080 -848 -2962 -1183 -821 -572 -184 892 1214 1027 423 -251 -1874 -180 -1559 -1587 -201 -109 578 84 -163 -1592 -2001 -1053 -311 -1522 -1095 -734 -454 713 1447 1789 854 585 -177 -350 11 633 -26 641 1396 392 1476 1990 629 734 -416 -290 368 -345 92 -635 -1530 -1145 -916 -573 821 1085 2065 260 -58 -1361 -1713 SS 20240720T111851.3Z 8967.471427 195 1 52.84 2 75.97 74.81 118.49 255.81 0.00 1 0.00 1 0 25 3.577e-01 2.018e-02 2.901e-01 1.516e-02 5.352618e-01 8.955794e-03 6.219607e-03 -6.000000e+00 2.274848e-01 232.57 -2.00 3.48 -2.00 320.77 0.00e+00 -6.925344e-03 3.767605e-03 2.206236e-03 -6.000000e+00 1.126956e-02 290.60 -2.00 20.00 -2.00 320.08 0.00e+00 4.030 0.001 302.00 328.00 3 4.6343e+00 2.9172e-02 5.2053e-02 -6.0000e+00 5.7325e-01 8.7079e-02 3.7880e-02 3.7323e-02 -6.0000e+00 6.1811e-01 -1.1315e-01 3.2620e-02 1.4939e-02 -6.0000e+00 3.6075e-01 4.0600e-02 1.5834e-02 1.0840e-02 -6.0000e+00 1.5475e-01 4.9616e-05 -3.3962e-04 5.1276e-04 8.3973e-05 -6.0000e+00 1.1638e-02 -3.4347e-02 2.8062e-04 12 9 8 11 16 0 99.58 23.83 1.24 -0.03435 -0.03690 14 2 1 5 0 3773.920 26.51 20.01 23.83 34.45 4.4 1053.64 140407 900000 900000 900000 900000 -44132 900000 900000 900000 900000 -161185 -110145 900000 51615 -55263 68584 9116 23150 -28996 5978 129805 16912 17731 -36101 4804 -30790 237733 -22525 1892 -13411 -20760 -26787 18750 -3022 -8382 47450 30743 56594 17503 14337 23056 14400 15977 -2090 -1565 28255 1851 -16717 14951 781 -2207 5308 3964 12733 -3053 2453 11017 8031 -6311 23642 -5027 9360 189 3713 -1048 3551 12299 -6353 1334 -6528 5876 17 678 -1548 -1439 2971 -9048 -6112 -2554 1965 -4652 179 -5831 4930 -957 -952 -1257 1704 -2038 -559 2157 -3214 4315 -2047 -749 5746 -309 859 -762 2523 -2648 -2900 804 1315 -4026 -1176 -1433 -144 2461 856 94 1270 114 737 -139 1465 -725 -1403 1069 1194 -887 -1235 813 109 1719 914 -276 -811 2009 -988 -378 -1319 908 -1565 374 -1163 978 19 1188 -512 -441 222 2072 900000 900000 900000 900000 -651 900000 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