File name: Pandora21s1_Bremen_20230322_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T135257.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20230322_L1_smca1c1d20201116p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20230322 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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 20230322T071216.4Z 8481.300189 103 1 6.51 2 74.76 110.22 79.50 102.91 0.00 1 0.00 1 0 17 3.144e-01 1.224e-02 1.991e-01 9.734e-03 5.443888e-01 5.219037e-03 6.983478e-03 -6.000000e+00 1.910245e-01 225.58 -2.00 3.88 -2.00 319.83 0.00e+00 -2.061297e-03 1.450139e-03 3.498871e-04 -6.000000e+00 7.924725e-03 269.13 -2.00 20.00 -2.00 319.55 0.00e+00 3.734 0.001 302.00 328.00 3 4.0303e+00 1.4519e-02 4.8373e-02 -6.0000e+00 4.7536e-01 7.6166e-02 1.7240e-02 3.1090e-02 -6.0000e+00 5.1811e-01 -3.0885e-02 1.6413e-02 1.6331e-02 -6.0000e+00 3.0077e-01 -1.4840e-04 8.7852e-03 5.0924e-03 -6.0000e+00 1.2576e-01 1.2057e-04 -7.6849e-05 2.9910e-04 6.1323e-05 -6.0000e+00 9.8277e-03 -3.3333e-02 5.7502e-05 12 9 9 12 1 1 999.00 22.29 0.28 -0.03333 -0.03391 2 5 1 5 0 2109.718 25.28 19.99 22.29 18.09 31.9 1014.91 900000 288714 -59015 -27098 900000 900000 900000 900000 55946 -15182 -31229 -14162 11434 -52164 900000 -47380 105139 -35028 33555 -51925 19866 57802 -17364 12443 -25990 39419 -9415 83871 -12543 1719 -18220 14751 -1333 -2091 19616 254 5340 6352 3207 2943 1930 -6095 4313 7757 -3638 4570 2291 532 -5837 965 -2220 5074 971 -1625 -1390 -919 4818 -6142 6111 -1104 5779 -170 -662 2820 1116 3170 -2914 3032 -1277 2324 -2762 687 -118 1876 416 1015 1684 -2497 -617 -2443 632 -464 1241 -490 -2223 -907 -1645 1233 664 1352 -1473 1334 -1079 1281 -57 412 937 -666 240 -82 1321 -1350 -26 -685 -219 -444 -1673 -337 -621 -242 -568 1261 -412 -53 -766 163 350 924 -576 -461 358 -1315 1026 -429 608 1340 428 648 915 378 -126 1053 -730 651 1283 -684 -430 365 -655 -624 363 -440 -233 900000 2737 -1045 -359 900000 900000 900000 900000 530 -256 -648 -274 204 -1973 900000 -2374 1486 -1897 1046 -3704 765 1613 -997 590 -1918 1713 -654 2458 -857 105 -1464 1001 -118 -201 1545 24 507 691 432 473 355 -1304 879 1570 -823 968 500 119 -1425 231 -589 1381 298 -550 -497 -342 1762 -2498 2202 -417 2076 -68 -291 1313 555 1543 -1457 1444 -668 1304 -1766 450 -79 1196 254 568 870 -1301 -331 -1482 422 -348 993 -421 -2029 -862 -1641 1238 674 1341 -1431 1201 -945 1090 -51 404 1011 -797 305 -107 1660 -1628 -29 -758 -249 -531 -2097 -435 -847 -350 -877 2007 -670 -85 -1183 240 508 1357 -884 -732 574 -2112 1584 -654 895 1907 596 899 1326 589 -210 1819 -1316 1201 2448 -1372 -882 755 -1370 -1293 727 -855 -440 SS 20230322T075733.6Z 8481.331639 128 1 12.44 2 68.60 120.24 73.03 112.07 0.00 1 0.00 1 0 25 5.393e-02 6.778e-03 4.085e-02 4.664e-03 4.078483e-01 2.419649e-03 5.387968e-03 -6.000000e+00 3.200221e-02 225.59 -2.00 3.88 -2.00 318.71 0.00e+00 -1.510359e-04 4.791957e-04 1.663148e-04 -6.000000e+00 1.293513e-03 269.14 -2.00 20.00 -2.00 318.42 0.00e+00 2.716 0.000 302.00 328.00 3 4.5536e+00 6.4935e-03 3.5573e-02 -6.0000e+00 7.9666e-02 6.7344e-02 7.3464e-03 2.3052e-02 -6.0000e+00 8.6579e-02 -1.6429e-02 5.4501e-03 1.1735e-02 -6.0000e+00 5.0982e-02 -3.8980e-03 2.9268e-03 3.5002e-03 -6.0000e+00 2.1353e-02 2.2053e-04 -5.8562e-04 1.4359e-04 4.1954e-05 -6.0000e+00 1.6171e-03 -3.4013e-02 3.4622e-05 12 9 1 12 1 1 4.03 22.31 0.40 -0.03401 -0.03841 5 5 1 5 0 2043.896 25.39 20.00 22.31 18.44 32.0 1016.10 -11591 10723 -16549 -29077 21533 -30770 13630 10030 1968 -12042 -14294 -5968 -12780 -2479 -6760 -161 -1306 4152 367 -1970 -1293 -936 1697 2054 4854 -4772 2363 -6253 176 -2807 1942 3065 -1105 -3987 -625 4051 -4963 465 -1895 354 -2605 -788 -400 -1621 -85 -123 2051 -367 -1412 1005 1715 911 1465 161 337 718 904 1069 -852 1706 1532 2035 1902 2216 281 1003 1179 291 347 154 57 -784 -740 808 -312 -43 242 934 -1406 -1307 -1361 -975 -1268 -1592 -749 -817 -729 -101 278 -618 485 317 1333 1186 1014 788 934 474 -434 -303 -869 -491 220 17 -895 -773 -474 -50 -303 -447 -236 129 114 -40 93 122 620 778 89 92 -811 531 -135 17 137 -3 500 658 665 575 579 -257 537 -302 74 52 536 238 -489 -589 -401 -81 -336 -385 328 -690 -1340 583 -1297 398 337 80 -600 -757 -309 -795 -164 -547 -14 -125 402 39 -223 -150 -109 199 254 627 -710 335 -936 24 -390 275 476 -197 -773 -117 711 -996 101 -498 106 -898 -285 -150 -628 -33 -48 779 -142 -554 394 702 403 690 81 177 388 499 593 -475 921 838 1165 1173 1461 194 679 766 187 231 112 45 -654 -625 660 -245 -32 163 600 -943 -954 -1102 -862 -1203 -1588 -775 -889 -827 -118 324 -715 535 331 1308 1134 999 835 1076 594 -580 -412 -1159 -618 261 20 -1092 -986 -626 -69 -431 -669 -370 209 184 -63 141 177 878 1115 132 142 -1291 836 -210 25 203 -4 693 901 940 861 913 -422 898 -521 132 95 1010 457 -948 -1134 -754 -147 -599 SS 20230322T080723.2Z 8481.338463 134 1 51.09 2 67.34 122.52 71.68 114.13 0.00 1 0.00 1 0 25 8.038e-02 5.977e-03 3.827e-02 3.559e-03 3.828666e-01 1.851241e-03 5.047814e-03 -6.000000e+00 4.768645e-02 225.59 -2.00 3.88 -2.00 319.11 0.00e+00 8.423963e-04 4.030930e-04 1.709800e-04 -6.000000e+00 1.927774e-03 269.14 -2.00 20.00 -2.00 318.82 0.00e+00 2.575 0.000 302.00 328.00 3 5.0086e+00 5.0141e-03 3.3613e-02 -6.0000e+00 1.1871e-01 7.0573e-02 5.7080e-03 2.1705e-02 -6.0000e+00 1.2903e-01 -1.1901e-02 4.4186e-03 1.1109e-02 -6.0000e+00 7.5977e-02 -4.3354e-03 2.3752e-03 3.3485e-03 -6.0000e+00 3.1810e-02 1.6457e-04 -8.1748e-04 1.1267e-04 4.1286e-05 -6.0000e+00 2.4105e-03 -3.1947e-02 2.2433e-05 10 0 0 10 0 0 99.64 22.31 0.21 -0.03195 -0.03809 22 4 1 5 0 2321.638 25.39 20.00 22.31 18.56 32.0 1016.78 -9494 -21408 13799 -14726 28935 -18179 74254 -8954 2095 -17938 -5045 11072 -6199 9099 -6436 8758 -9110 -473 2575 1827 -3706 -525 3916 -838 669 -3977 2364 -4758 6814 3859 1898 1426 60 1446 898 1326 -4029 -4187 -2732 -6 -1634 -2158 -242 -1705 1648 -2221 622 -2480 -193 -1286 1177 797 455 835 1603 437 417 1687 35 1004 1923 2279 1257 -181 1658 -490 -438 318 1729 208 916 -64 797 -774 -66 -1047 -427 -1084 -255 605 -1035 -710 -1937 -223 -501 -1267 -584 -10 720 -463 1144 1007 909 463 225 291 388 539 -463 117 -247 -537 -638 444 -541 -480 -540 -522 49 9 316 -293 514 -528 281 230 -161 -158 -23 -162 -707 109 275 207 83 -110 699 477 800 269 -12 -243 435 422 168 -154 -68 247 -115 381 -366 -277 -655 -289 -823 405 -552 681 -630 1154 -326 77 -848 -219 435 -322 481 -461 617 -830 -42 236 176 -389 -54 393 -93 78 -509 289 -606 747 433 231 194 9 229 142 204 -687 -818 -626 -1 -488 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