File name: Pandora21s1_Bremen_20240329_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240329T233539.4Z 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_20240329_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: 20240329 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 20240329T082937.1Z 8854.353902 311 1 18.45 2 61.65 126.76 109.82 258.33 0.00 1 0.00 1 0 25 4.310e-02 5.968e-03 1.985e-02 2.000e-03 4.436522e-01 1.041445e-03 5.878094e-03 -6.000000e+00 2.567223e-02 226.26 -2.00 3.88 -2.00 318.75 0.00e+00 3.805799e-04 2.114605e-04 1.872358e-04 -6.000000e+00 1.034261e-03 270.15 -2.00 20.00 -2.00 318.47 0.00e+00 2.096 0.000 302.00 328.00 3 3.9850e+00 2.7978e-03 3.3061e-02 -6.0000e+00 6.4009e-02 3.8757e-02 3.1723e-03 2.5166e-02 -6.0000e+00 6.9499e-02 -3.4622e-03 2.4164e-03 1.2845e-02 -6.0000e+00 4.0903e-02 -4.2344e-03 1.3057e-03 3.8253e-03 -6.0000e+00 1.7134e-02 6.5350e-04 -7.0815e-04 6.0285e-05 4.5808e-05 -6.0000e+00 1.2920e-03 -4.3224e-02 5.7283e-05 12 1 1 12 1 1 99.93 22.33 0.25 -0.04322 -0.04855 23 13 1 5 0 768.332 25.39 20.01 22.33 16.26 34.8 997.92 1794 -23369 -4226 -16651 -3849 -9654 -11952 -3756 -20368 358 -22364 5250 -14213 4595 -5984 -222 -3320 -3242 2637 -3101 1226 -4675 3947 -1064 808 -5012 -2260 493 -3921 867 -918 1863 -3500 2546 -2725 -589 317 -1416 -765 -1938 -601 -1185 436 -1012 493 -789 719 -178 -355 655 -439 2121 44 1084 539 1971 503 589 658 787 2121 368 1890 256 954 335 901 527 1119 180 301 -442 -631 143 -791 426 647 304 156 -197 -294 -1236 -1101 -1246 -960 -1233 -562 -355 -49 -451 -3 909 381 1364 523 887 648 445 -491 -284 4 -621 101 47 -625 -1016 -503 -624 89 138 -25 -96 -177 22 33 814 418 734 -1 -345 -871 -167 -241 28 173 114 1114 997 947 474 644 190 -91 316 36 -77 -125 143 -509 -224 -234 -349 -196 43 -802 -130 -572 -111 -282 -369 -119 -843 13 -1071 207 -760 245 -416 -17 -286 -300 245 -319 125 -512 408 -122 98 -676 -304 63 -507 107 -124 274 -601 442 -496 -103 58 -296 -188 -563 -193 -412 156 -375 182 -296 268 -67 -135 252 -180 912 21 535 279 1043 276 325 359 424 1139 210 1148 169 654 228 590 340 745 131 237 -369 -534 118 -626 312 438 198 104 -143 -237 -1100 -1050 -1248 -1001 -1350 -637 -413 -58 -523 -3 953 380 1317 522 945 752 561 -661 -391 6 -795 122 56 -762 -1298 -662 -851 126 204 -39 -156 -289 35 51 1189 600 1060 -2 -537 -1386 -265 -374 43 254 164 1538 1360 1331 707 1013 310 -153 543 64 -142 -235 274 -981 -428 -438 -632 -346 SS 20240329T100403.8Z 8854.419488 370 1 50.18 2 52.46 152.75 123.57 276.18 0.00 1 0.00 1 0 17 3.613e-02 6.454e-03 2.341e-02 3.351e-03 3.469418e-01 1.743778e-03 4.626039e-03 -6.000000e+00 2.153252e-02 226.27 -2.00 3.88 -2.00 318.73 0.00e+00 2.058703e-05 3.381105e-04 1.318373e-04 -6.000000e+00 8.670991e-04 270.16 -2.00 20.00 -2.00 318.44 0.00e+00 1.637 0.000 302.00 328.00 3 5.2344e+00 4.6796e-03 2.5862e-02 -6.0000e+00 5.3690e-02 2.3331e-02 5.2826e-03 1.9670e-02 -6.0000e+00 5.8284e-02 2.7000e-02 3.7843e-03 1.0013e-02 -6.0000e+00 3.4304e-02 -1.6783e-02 2.0107e-03 2.9831e-03 -6.0000e+00 1.4377e-02 3.3512e-04 6.3520e-05 1.0593e-04 3.6805e-05 -6.0000e+00 1.0829e-03 -4.4121e-02 1.7174e-04 11 8 0 10 0 0 99.99 22.34 0.19 -0.04412 -0.04364 185 36 1 5 0 271.177 25.47 20.00 22.34 16.86 35.1 1000.39 9009 -7204 7878 -16161 10288 -9714 8116 4866 4841 12422 -9022 10865 -13910 5745 -2856 6366 -7076 2119 -50 -105 2532 -4139 2437 -5293 7896 -226 2259 609 2176 2372 3762 5348 -1100 2272 -6386 4050 -1722 -903 280 -449 -2026 -2340 -907 -2647 678 -2912 851 -1529 -825 -167 470 1773 -338 1293 -1088 838 -392 1045 340 587 2247 1120 1436 135 669 -288 1238 185 957 429 -130 121 -346 293 -282 1063 -1085 1327 239 -193 -236 -1012 -1666 -970 -513 -652 -55 -742 485 -354 727 615 422 994 699 1420 289 1070 -670 -2 30 -589 -187 -39 -243 -1311 -394 -558 85 -311 386 -39 80 44 17 375 -87 254 -436 -145 -715 -311 -11 -297 310 -63 1058 866 1000 -55 763 -361 150 384 261 86 -79 527 -619 81 -510 -316 -64 352 -359 364 -901 432 -461 341 230 253 651 -586 617 -1073 427 -263 605 -819 239 -6 -13 320 -561 317 -775 1090 -35 351 94 315 337 551 843 -201 425 -1283 721 -338 -199 72 -137 -702 -871 -347 -1052 262 -1170 329 -598 -319 -65 189 756 -158 629 -566 442 -214 567 184 313 1191 632 873 89 458 -194 777 113 600 297 -100 98 -288 236 -217 743 -705 793 146 -129 -178 -851 -1531 -939 -521 -705 -63 -881 577 -417 807 634 404 904 651 1419 323 1311 -900 -3 40 -735 -217 -44 -288 -1667 -520 -770 122 -477 624 -65 135 72 26 536 -121 355 -642 -225 -1154 -502 -17 -455 454 -89 1410 1130 1346 -79 1174 -586 249 655 465 162 -153 1042 -1248 162 -992 -591 -116 SS 20240329T103437.8Z 8854.440715 386 1 50.10 2 50.70 162.22 127.97 282.54 0.00 1 0.00 1 0 25 1.283e-02 4.913e-03 1.077e-02 1.800e-03 3.278704e-01 9.346800e-04 4.403635e-03 -6.000000e+00 7.642236e-03 226.27 -2.00 3.88 -2.00 318.45 0.00e+00 6.003711e-05 1.678826e-04 1.133151e-04 -6.000000e+00 3.078178e-04 270.16 -2.00 20.00 -2.00 318.15 0.00e+00 1.575 0.000 302.00 328.00 3 4.5790e+00 2.4941e-03 2.4627e-02 -6.0000e+00 1.9055e-02 1.7668e-02 2.8051e-03 1.8613e-02 -6.0000e+00 2.0688e-02 1.6863e-02 1.9369e-03 9.4445e-03 -6.0000e+00 1.2176e-02 -1.2700e-02 1.0213e-03 2.7942e-03 -6.0000e+00 5.1014e-03 7.1222e-04 -3.4735e-04 5.6732e-05 3.4579e-05 -6.0000e+00 3.8448e-04 -4.3832e-02 9.8666e-05 10 0 0 10 0 0 99.99 22.34 0.11 -0.04383 -0.04644 206 40 1 5 0 243.137 25.47 20.00 22.34 18.20 35.1 1006.19 -4699 989 -6396 4342 -2811 2120 691 3333 2202 -3012 -1451 251 3934 -785 3030 1040 -293 -1288 -1911 770 -1295 635 189 66 -1120 -1193 -1339 876 1374 424 1467 1765 2130 -1925 437 -830 -340 -1512 -559 -338 -1763 -1086 -1319 -968 -1147 -716 -1047 -257 -717 479 417 -176 531 103 1195 332 662 451 974 1109 924 1232 1467 886 149 414 181 525 701 492 -133 -302 -100 -22 93 -48 597 831 1039 -224 -362 -663 -1634 -1006 -797 -824 -645 -204 94 -118 130 256 768 919 1194 623 833 600 108 -478 -321 -525 -51 218 -729 -724 -935 -385 -178 227 73 -42 -77 -116 151 522 318 215 193 -334 -435 -258 -325 -99 82 247 572 1097 749 668 356 84 333 128 8 -243 76 52 -199 -300 -77 -367 -102 -240 54 -389 236 -152 105 35 183 135 -208 -102 18 298 -71 305 120 -37 -172 -269 110 -194 94 29 11 -192 -215 -245 153 227 69 247 322 422 -418 92 -172 -73 -372 -161 -114 -675 -442 -559 -418 -498 -310 -453 -109 -303 202 183 -83 265 55 654 189 383 264 561 630 532 744 953 620 109 293 121 338 464 357 -107 -257 -87 -19 75 -36 402 525 660 -156 -283 -575 -1545 -998 -831 -912 -751 -245 114 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