File name: Pandora21s1_Bremen_20220716_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T114559.1Z 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_20220716_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: 20220716 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 20220716T064447.8Z 8232.281108 265 1 50.72 2 62.07 91.13 93.35 245.24 0.00 1 0.00 1 0 25 4.662e-02 7.847e-03 3.570e-02 5.023e-03 3.327588e-01 2.673845e-03 4.400701e-03 -6.000000e+00 2.844127e-02 234.07 -2.00 3.88 -2.00 318.82 0.00e+00 -9.390589e-04 5.103149e-04 1.214448e-04 -6.000000e+00 1.116668e-03 282.77 -2.00 20.00 -2.00 318.49 0.00e+00 2.124 0.000 302.00 328.00 3 5.7437e+00 7.2876e-03 2.9211e-02 -6.0000e+00 7.2245e-02 3.5939e-02 8.1807e-03 1.9634e-02 -6.0000e+00 7.8118e-02 1.7583e-02 5.7916e-03 9.7227e-03 -6.0000e+00 4.5694e-02 -1.5686e-02 3.0337e-03 2.7751e-03 -6.0000e+00 1.8741e-02 1.3009e-04 -1.5454e-03 1.6070e-04 3.4363e-05 -6.0000e+00 1.4018e-03 -1.5455e-02 -1.6472e-04 11 8 0 10 0 0 99.98 22.27 0.27 -0.01545 -0.02707 36 7 1 5 0 1408.419 25.39 20.00 22.27 23.33 30.0 1021.93 -20597 17966 -3971 16701 -2355 1542 2814 -16150 21956 -19295 3292 -4143 5105 4965 -910 1190 5984 -299 -6815 5248 -10139 2818 -5830 3076 4887 -5760 -2895 2317 8703 -3224 7984 -1916 6010 -2411 1368 189 -2780 -1518 -2577 -682 -3959 3400 -4255 1927 -708 -369 2372 -2213 1557 -3166 2444 -2352 2538 -274 2218 1470 -352 219 43 3101 -293 1721 1562 2375 -1006 207 -439 0 365 616 -521 -953 1067 -642 1115 -975 -188 566 -131 732 -177 680 -1341 -651 -1480 -708 -770 -221 262 -481 885 75 1295 152 1545 152 1181 258 -432 -443 -304 -276 -703 929 -1651 337 -1150 63 -11 -29 75 -147 28 -277 1123 -153 271 132 -2 -539 -622 -190 -613 242 -133 1255 336 1437 216 456 232 -52 491 165 329 -254 450 -91 18 -536 -292 -201 -292 -1027 701 -195 663 -103 63 120 -913 980 -1334 190 -268 336 375 -83 118 608 -34 -862 617 -1419 353 -815 419 700 -956 -471 346 1167 -478 1120 -323 1020 -462 248 34 -552 -344 -702 -213 -1422 1211 -1688 733 -277 -144 895 -860 582 -1255 964 -1043 1148 -135 1112 766 -191 119 23 1604 -160 975 958 1545 -691 136 -272 0 230 428 -401 -777 863 -514 830 -678 -119 336 -81 490 -134 566 -1227 -625 -1517 -766 -880 -261 310 -560 963 76 1209 138 1431 155 1319 320 -575 -599 -395 -334 -806 1045 -2003 426 -1541 87 -16 -45 123 -247 47 -442 1660 -216 371 185 -2 -845 -1007 -307 -970 369 -196 1743 452 1885 299 671 363 -85 816 284 592 -482 876 -182 36 -1074 -567 -377 -534 SS 20220716T064938.1Z 8232.284469 268 1 45.23 2 61.34 92.11 93.97 246.17 0.00 1 0.00 1 0 17 8.810e-02 1.191e-02 5.554e-02 7.409e-03 3.243791e-01 3.952669e-03 4.303182e-03 -6.000000e+00 5.377445e-02 234.07 -2.00 3.88 -2.00 318.86 0.00e+00 -1.053301e-03 7.629873e-04 1.192077e-04 -6.000000e+00 2.110022e-03 282.77 -2.00 20.00 -2.00 318.53 0.00e+00 2.075 0.000 302.00 328.00 3 5.7308e+00 1.0795e-02 2.8542e-02 -6.0000e+00 1.3660e-01 -6.0294e-03 1.2108e-02 1.9185e-02 -6.0000e+00 1.4767e-01 6.5636e-02 8.5824e-03 9.5049e-03 -6.0000e+00 8.6382e-02 -3.2596e-02 4.4975e-03 2.7187e-03 -6.0000e+00 3.5451e-02 1.4025e-04 -1.2831e-03 2.3911e-04 3.3958e-05 -6.0000e+00 2.6485e-03 -1.7205e-02 -7.2862e-05 12 9 9 12 1 1 99.99 22.27 0.26 -0.01720 -0.02685 139 30 1 5 0 321.796 25.39 20.00 22.27 23.68 29.9 1022.78 56903 1067 203 20407 2267 41321 -15132 39277 -5707 32063 14425 12196 2344 6793 5525 -5854 2120 -7673 21197 -6629 7502 36 394 -132 5163 11700 -1960 9894 -16404 11793 -4161 10072 -1637 4500 379 -5875 -1398 -9740 3178 -7997 -2053 -3201 340 -1684 -667 -438 -2618 55 -3691 6867 -3669 1301 -2003 1656 -784 -463 2233 -865 3840 -1296 4282 -317 2586 -648 802 333 -763 2108 -668 1614 -1628 1157 -2198 2275 -1032 429 275 885 1772 -2695 958 -1584 803 -2760 827 -658 -464 505 -335 1132 -957 2395 -370 1629 583 1094 1354 410 433 -1824 1349 -1615 855 -613 484 -1042 -247 -26 -946 341 -701 675 -917 1448 -882 380 874 -22 125 -558 -425 -1335 433 -1102 1314 -1320 993 395 571 677 429 965 -375 781 -171 150 -728 208 -554 353 -204 -649 724 1651 52 10 869 105 1378 -821 1533 -350 1549 823 737 168 530 492 -631 228 -941 2128 -876 905 5 53 -19 745 1671 -318 1406 -2808 1559 -661 1534 -299 811 70 -1128 -274 -2356 809 -2622 -708 -1187 126 -649 -256 -168 -1019 21 -1426 2440 -1505 547 -927 784 -397 -241 1161 -466 1960 -689 2202 -180 1547 -427 534 214 -469 1228 -417 1092 -1246 913 -1813 1756 -777 292 172 520 1055 -1838 709 -1329 712 -2677 823 -708 -527 589 -398 1296 -1058 2373 -349 1447 539 1095 1496 504 572 -2496 1725 -1975 961 -695 573 -1330 -328 -36 -1390 526 -1156 1135 -1550 2286 -1329 531 1186 -31 184 -875 -688 -2183 680 -1704 1903 -1873 1320 519 780 990 669 1555 -629 1338 -310 286 -1445 419 -1135 710 -401 -1235 1319 SS 20220716T071947.7Z 8232.305414 289 1 44.07 2 56.84 98.39 97.94 251.91 0.00 1 0.00 1 0 25 7.949e-03 4.807e-03 1.273e-03 2.949e-04 2.809802e-01 1.563271e-04 3.725174e-03 -6.000000e+00 4.854452e-03 234.07 -2.00 3.88 -2.00 317.98 0.00e+00 1.600837e-04 2.394486e-05 8.154269e-05 -6.000000e+00 1.904006e-04 282.77 -2.00 20.00 -2.00 317.65 0.00e+00 1.822 0.000 302.00 328.00 3 9.9707e-01 4.2040e-04 2.4826e-02 -6.0000e+00 1.2332e-02 3.5940e-03 4.6802e-04 1.6496e-02 -6.0000e+00 1.3329e-02 7.1057e-03 2.9942e-04 8.0981e-03 -6.0000e+00 7.7969e-03 -6.7124e-03 1.5092e-04 2.2764e-03 -6.0000e+00 3.2018e-03 2.2163e-02 -2.3064e-04 9.2934e-06 2.8104e-05 -6.0000e+00 2.3890e-04 -1.7978e-02 5.5944e-05 10 0 0 10 0 0 99.98 22.27 0.22 -0.01798 -0.01971 3290 645 1 5 0 12.629 25.39 19.99 22.27 23.83 29.6 1020.91 -2473 -2233 -3219 -2660 -2479 -550 -1134 -245 -453 -1352 -793 -374 -606 -640 -437 -1174 -618 -321 74 -16 10 463 560 158 -194 -135 -831 -359 334 1066 905 1241 655 -806 -724 -564 -693 -606 -614 -1012 -1075 -928 -897 -700 -543 -536 -604 -506 -243 437 601 678 842 718 652 770 843 567 867 1065 1205 1325 1249 599 56 294 150 484 712 394 -177 -190 -322 -299 -142 52 225 392 537 -167 -487 -1096 -1409 -1158 -997 -840 -455 -321 -145 -133 218 346 720 1020 953 667 787 394 -313 -443 -326 -520 165 187 -573 -562 -571 -341 10 128 26 -106 -101 -43 161 479 522 390 209 -344 -511 -246 -243 -122 221 226 754 1062 772 524 285 99 171 311 -24 -118 34 63 -315 -217 -267 -378 -176 -177 -177 -265 -209 -191 -40 -85 -20 -42 -134 -79 -38 -69 -78 -61 -182 -101 -55 13 -3 2 87 107 32 -42 -30 -187 -77 67 224 185 274 157 -203 -177 -135 -177 -178 -215 -415 -490 -448 -448 -354 -275 -270 -301 -247 -116 209 300 361 476 429 405 491 547 370 557 677 782 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