File name: Pandora21s1_Bremen_20221029_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T125249.8Z 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_20221029_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: 20221029 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 20221029T074949.2Z 8337.326264 100 1 15.09 2 78.95 130.95 119.47 97.80 0.00 1 0.00 1 0 25 2.537e-01 7.207e-03 2.045e-01 5.625e-03 5.546444e-01 2.966685e-03 7.065903e-03 -6.000000e+00 1.486700e-01 222.65 -2.00 3.88 -2.00 320.49 0.00e+00 3.495645e-03 9.745253e-04 4.532021e-04 -6.000000e+00 6.080141e-03 273.33 -2.00 20.00 -2.00 320.19 0.00e+00 5.034 0.003 302.00 328.00 3 2.5318e+00 8.4871e-03 5.8736e-02 -6.0000e+00 3.6770e-01 1.1328e-01 1.0579e-02 3.1860e-02 -6.0000e+00 4.0060e-01 -6.7239e-02 1.1128e-02 1.7201e-02 -6.0000e+00 2.3640e-01 1.6480e-02 5.8218e-03 5.5876e-03 -6.0000e+00 9.9453e-02 1.6006e-04 -5.4365e-04 1.7552e-04 7.1913e-05 -6.0000e+00 7.6009e-03 -2.2821e-02 7.5165e-05 12 9 1 12 1 1 50.21 22.13 0.24 -0.02282 -0.02691 16 11 1 5 0 877.130 25.28 20.00 22.13 20.91 30.6 1005.70 -65386 -41735 -71220 -86180 -2609 -79111 -90901 141055 -74491 89163 -58077 7075 55560 74259 51726 -15524 25899 4863 -18059 -12911 -2795 -4956 27418 -15400 -15876 1358 -16828 8326 671 6212 -13042 51199 1557 2748 -4310 -441 -6950 -5874 3830 -5710 9535 -156 -1398 545 6219 -2810 -8495 4002 6457 1478 1702 -194 2348 -1795 233 3586 -118 -2220 447 -1933 918 1585 1343 2297 757 1526 2396 301 1002 556 243 -103 218 -146 603 -393 17 -563 11 -263 -920 -1452 -1765 -2511 -738 -976 1156 320 -310 597 1310 1963 -509 1413 645 589 380 300 -323 -922 123 -131 364 -288 -632 -1269 -857 -201 190 107 -430 292 -367 256 225 556 453 421 224 -1046 -642 -369 -330 -37 538 297 551 575 482 324 178 93 409 255 40 118 -81 328 -833 -291 -63 -291 318 -705 -424 -1015 -1400 -19 -1117 -1491 774 -1291 489 -989 74 449 628 655 -418 543 134 -655 -471 -96 -176 754 -656 -725 56 -832 326 28 257 -720 1843 99 185 -310 -30 -541 -520 369 -706 1154 -22 -213 84 932 -467 -1521 652 1065 268 333 -43 548 -468 63 980 -34 -662 128 -561 265 489 460 860 305 609 927 119 422 262 126 -57 120 -79 302 -182 7 -238 5 -134 -539 -961 -1278 -1947 -595 -835 1020 294 -288 541 1125 1579 -399 1081 528 536 389 343 -401 -1177 151 -151 388 -302 -694 -1475 -1038 -255 255 154 -672 478 -611 416 350 830 668 633 352 -1727 -1074 -609 -529 -59 812 436 785 821 731 534 316 174 791 514 83 260 -183 752 -1932 -665 -139 -621 655 SS 20221029T081054.4Z 8337.340907 110 1 50.78 2 76.65 135.63 116.51 101.59 0.00 1 0.00 1 0 17 2.410e-01 8.192e-03 2.040e-01 7.190e-03 4.726414e-01 3.773702e-03 6.137175e-03 -6.000000e+00 1.411343e-01 222.65 -2.00 3.88 -2.00 320.18 0.00e+00 1.450609e-03 1.105047e-03 3.129718e-04 -6.000000e+00 5.773668e-03 273.33 -2.00 20.00 -2.00 319.88 0.00e+00 4.226 0.002 302.00 328.00 3 4.1511e+00 1.0596e-02 4.9450e-02 -6.0000e+00 3.4905e-01 1.5013e-01 1.2599e-02 2.6906e-02 -6.0000e+00 3.8038e-01 -6.7528e-02 1.1817e-02 1.4212e-02 -6.0000e+00 2.2446e-01 1.5966e-02 6.2999e-03 4.5062e-03 -6.0000e+00 9.4375e-02 7.2645e-05 -1.2025e-03 2.3182e-04 5.8887e-05 -6.0000e+00 7.2224e-03 -2.1281e-02 -3.2643e-05 11 8 0 10 0 0 99.98 22.13 0.23 -0.02128 -0.03032 27 5 1 5 0 1880.217 25.28 20.00 22.13 22.38 30.9 1013.67 -72936 -6871 -1174 6707 145717 140261 77852 -19234 -22296 52081 -14013 135279 -13877 -28572 25094 24991 -23479 5749 -7874 -4532 -2163 -8779 7640 1676 -21154 -2232 -8120 -6031 2801 -11599 -9621 -2439 -1240 7949 -2311 -9749 -12570 2316 -951 8953 231 -5034 3378 -1846 -2572 542 1439 -1790 1113 -2723 -2641 4897 -590 6019 1047 2727 -56 2558 -3063 1202 4051 3208 895 1285 1862 795 1573 1085 4905 977 401 -425 94 -141 -204 575 -1407 -1874 -2539 463 -1615 -1746 -2385 -3032 1188 -1143 459 8 360 1123 821 631 -875 1423 1122 -1073 -643 529 175 140 270 -1413 -970 834 -1160 -1144 -3 -485 349 -226 15 170 342 133 473 406 -439 3 38 -894 -123 136 -121 -198 -29 312 836 147 1166 541 425 89 349 -292 -346 -191 419 532 -304 -264 73 -558 -205 -1808 -109 -19 99 1022 983 594 -373 -490 647 -319 949 -389 -1085 704 801 -1269 257 -422 -247 -119 -516 397 97 -1615 -151 -587 -419 175 -842 -750 -201 -113 706 -224 -999 -1405 259 -131 1314 41 -1018 660 -389 -552 114 303 -392 242 -636 -659 1240 -171 1749 336 894 -19 866 -1078 401 1341 1144 359 561 848 360 681 469 2167 500 227 -257 57 -83 -113 288 -661 -854 -1222 244 -992 -1207 -1813 -2468 986 -1031 430 8 353 1069 743 533 -706 1101 918 -994 -669 608 219 179 334 -1642 -1044 866 -1286 -1346 -3 -627 476 -335 24 284 575 217 729 594 -634 4 59 -1461 -204 224 -193 -309 -44 448 1152 203 1686 859 730 162 655 -574 -715 -415 936 1211 -700 -601 160 -1179 -416 SS 20221029T081705.6Z 8337.345204 113 1 50.68 2 76.01 137.03 115.65 102.69 0.00 1 0.00 1 0 25 2.013e-01 1.096e-02 1.772e-01 8.425e-03 4.436022e-01 4.413074e-03 5.794321e-03 -6.000000e+00 1.183945e-01 222.65 -2.00 3.88 -2.00 319.98 0.00e+00 5.231216e-04 1.233434e-03 2.748764e-04 -6.000000e+00 4.885122e-03 273.33 -2.00 20.00 -2.00 319.67 0.00e+00 4.045 0.001 302.00 328.00 3 4.7239e+00 1.2304e-02 4.7055e-02 -6.0000e+00 2.9261e-01 1.3140e-01 1.4473e-02 2.5235e-02 -6.0000e+00 3.1892e-01 -3.1516e-02 1.3145e-02 1.3238e-02 -6.0000e+00 1.8778e-01 -1.7826e-03 7.0399e-03 4.1641e-03 -6.0000e+00 7.8852e-02 5.0554e-05 -5.7408e-04 2.7298e-04 5.3969e-05 -6.0000e+00 6.0313e-03 -2.2260e-02 1.6690e-05 12 8 8 10 0 0 98.48 22.13 0.21 -0.02226 -0.02657 14 3 1 5 0 3617.417 25.28 19.99 22.13 22.58 30.7 1013.83 -24230 -17342 -88289 14685 21074 900000 79394 -63311 153022 -19715 32205 54009 -32227 10848 32984 -7187 -16528 25645 5857 25779 8055 25038 5283 -1358 3980 -12686 13920 3933 21560 -25299 8684 -8219 -1146 -20225 -1424 -1649 -3371 -2110 938 1483 -9001 1093 -1798 4633 -3545 4610 -4439 -3728 9825 1868 6437 2722 -2476 -1416 1659 -1512 1392 4646 -1225 770 1742 7309 -2655 3881 273 3317 -3962 -118 1151 530 2832 695 2297 -920 3301 -989 1371 -2703 -2623 -424 1025 -507 -2269 -461 -1425 -1192 -481 -678 11 -600 927 -381 2425 37 271 -429 763 -224 -24 1462 -61 35 -1699 -253 -2993 -831 -1839 286 -417 933 718 437 511 -666 -135 -706 205 404 -188 -33 -370 -432 -22 1121 438 836 464 1122 -126 226 327 367 400 -406 513 -69 602 -424 -576 -356 -324 76 -114 -449 -341 -3418 227 291 900000 676 -2060 1257 -521 565 838 -1213 329 966 -343 -942 1068 309 1188 449 1210 315 -92 274 -1072 933 282 1278 -2343 636 -793 -115 -2578 -150 -173 -382 -272 141 260 -1964 233 -411 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