File name: Pandora21s1_Bremen_20230503_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T141102.8Z 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_20230503_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: 20230503 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 20230503T062641.9Z 8523.268541 262 1 33.28 2 67.85 93.33 118.31 305.87 0.00 1 0.00 1 0 25 9.805e-02 7.611e-03 4.079e-02 3.342e-03 4.246895e-01 1.763017e-03 5.574574e-03 -6.000000e+00 5.899851e-02 229.67 -2.00 3.88 -2.00 319.21 0.00e+00 9.876744e-04 3.965489e-04 1.981968e-04 -6.000000e+00 2.349866e-03 274.53 -2.00 20.00 -2.00 318.92 0.00e+00 2.630 0.000 302.00 328.00 3 4.6867e+00 4.8171e-03 3.6204e-02 -6.0000e+00 1.4827e-01 5.8921e-02 5.4928e-03 2.4600e-02 -6.0000e+00 1.6073e-01 -1.6208e-02 4.3864e-03 1.2471e-02 -6.0000e+00 9.4353e-02 1.9813e-03 2.3549e-03 3.6912e-03 -6.0000e+00 3.9148e-02 2.0054e-04 -1.3149e-03 1.0377e-04 4.4811e-05 -6.0000e+00 2.9428e-03 -2.9327e-02 -8.0920e-05 12 9 1 12 1 1 99.90 22.25 0.25 -0.02933 -0.03921 14 5 1 5 0 2206.324 25.39 20.00 22.25 17.43 32.3 1035.98 22862 23505 1375 -1612 -16640 -7807 -91984 28378 -11599 -29610 -13283 -17249 20437 -10484 -4960 2888 826 455 6285 3530 -2640 6290 3694 -5381 -4046 5724 4361 -1388 -1460 1185 4818 -2195 3021 -4246 -171 -1355 -373 578 -1261 -1001 -1437 -1607 -689 -1446 -421 -573 1381 -664 1521 153 912 1668 2139 633 70 1294 1120 1817 505 894 583 2101 2205 -75 439 326 576 713 1198 -378 616 42 -538 -606 311 337 -217 709 -1040 -444 -277 -1301 -2276 -1255 -812 -842 -540 -214 591 -255 12 875 708 907 1180 418 1162 622 -63 -516 -297 -332 -204 635 -1268 -494 -1223 -706 -60 -95 237 -179 -83 -181 246 250 342 10 78 -136 -765 126 -123 267 457 361 930 1048 764 257 269 134 452 -87 484 -238 55 154 -245 -358 -531 -294 -172 402 466 35 -42 -466 -194 -5208 587 -385 -1249 -501 -718 683 -553 -294 182 58 34 478 289 -237 524 323 -543 -431 585 459 -151 -153 122 516 -282 410 -655 -25 -198 -57 101 -267 -248 -400 -480 -213 -462 -134 -185 439 -215 488 51 319 625 859 274 32 603 536 869 242 421 280 1054 1201 -45 272 199 336 408 715 -252 444 32 -418 -460 222 222 -132 410 -631 -295 -206 -1082 -2059 -1188 -804 -881 -591 -241 668 -285 13 870 663 826 1108 428 1305 769 -83 -702 -392 -412 -239 725 -1527 -623 -1612 -964 -86 -144 378 -296 -138 -293 377 365 490 14 118 -215 -1246 204 -195 411 679 519 1287 1432 1088 392 436 225 780 -156 893 -459 108 309 -498 -721 -1045 -558 -317 SS 20230503T064130.7Z 8523.278828 268 1 6.02 2 65.63 96.37 120.06 309.42 0.00 1 0.00 1 0 25 5.169e-02 7.781e-03 4.002e-02 5.948e-03 3.921615e-01 3.129979e-03 5.167440e-03 -6.000000e+00 3.114044e-02 229.67 -2.00 3.88 -2.00 318.19 0.00e+00 4.099939e-04 5.312324e-04 1.362151e-04 -6.000000e+00 1.239804e-03 274.53 -2.00 20.00 -2.00 317.90 0.00e+00 2.407 0.000 302.00 328.00 3 4.5400e+00 8.3777e-03 3.3155e-02 -6.0000e+00 7.8259e-02 6.2942e-02 9.3722e-03 2.2470e-02 -6.0000e+00 8.4807e-02 -1.6024e-02 6.3962e-03 1.1223e-02 -6.0000e+00 4.9785e-02 -8.0922e-04 3.3640e-03 3.2429e-03 -6.0000e+00 2.0675e-02 3.0095e-04 -3.9663e-04 1.8126e-04 3.8684e-05 -6.0000e+00 1.5517e-03 -3.2732e-02 4.9236e-05 12 9 1 12 1 1 999.00 22.25 0.20 -0.03273 -0.03571 2 5 1 5 0 1946.406 25.28 19.99 22.25 17.99 32.1 1038.32 5239 -22857 -340 -9656 8947 21649 37132 -11312 -10243 12921 294 -5292 -2409 -15984 2152 -1814 3608 2284 -8874 486 1054 907 -706 955 545 -3404 1098 -1487 4081 -8833 1539 -2750 2983 1885 -1328 -4156 -3770 -3415 -1178 -2207 677 -1008 -148 557 -376 -549 131 -256 946 2840 1868 -708 -29 1395 -199 894 335 -103 1458 1064 3556 2049 3411 441 126 821 435 -49 -61 -1119 40 -666 388 -194 -248 -559 -262 1512 841 -377 -512 -678 -1670 -1652 -579 -315 71 -1526 216 -697 -30 474 975 808 666 -359 657 538 220 -516 -194 -502 482 -221 -321 -932 -827 -732 -96 59 46 -552 -319 -208 249 574 1140 223 129 -342 -831 -72 8 519 163 859 353 795 1127 752 954 -357 185 232 274 -44 238 311 -405 -670 -56 -488 -833 213 -1353 -17 -525 384 795 1231 -646 -645 707 19 -373 -186 -1632 217 -214 440 300 -1359 71 158 138 -111 156 95 -646 203 -275 690 -1670 281 -575 650 437 -313 -988 -938 -958 -379 -825 272 -436 -66 251 -172 -252 60 -117 430 1292 895 -369 -16 797 -119 547 210 -65 901 653 2168 1323 2327 326 96 612 313 -35 -44 -893 34 -594 347 -171 -210 -444 -193 1061 605 -295 -440 -632 -1664 -1716 -622 -352 82 -1835 258 -828 -34 513 999 807 682 -394 772 680 294 -702 -258 -636 578 -263 -395 -1200 -1099 -1002 -135 87 71 -877 -507 -322 369 817 1588 316 189 -521 -1293 -112 12 772 236 1207 483 1076 1565 1101 1459 -567 298 384 466 -78 429 567 -746 -1229 -101 -853 -1429 SS 20230503T071409.6Z 8523.301500 286 1 14.45 2 60.80 103.32 123.60 317.67 0.00 1 0.00 1 0 25 1.077e-02 5.291e-03 4.807e-03 1.165e-03 3.321708e-01 6.123634e-04 4.423237e-03 -6.000000e+00 6.486034e-03 229.68 -2.00 3.88 -2.00 317.63 0.00e+00 2.646016e-04 8.814673e-05 9.307913e-05 -6.000000e+00 2.582600e-04 274.53 -2.00 20.00 -2.00 317.33 0.00e+00 2.040 0.000 302.00 328.00 3 3.0130e+00 1.6247e-03 2.8102e-02 -6.0000e+00 1.6300e-02 3.0344e-02 1.8097e-03 1.9033e-02 -6.0000e+00 1.7665e-02 -7.9241e-03 1.1453e-03 9.4593e-03 -6.0000e+00 1.0370e-02 -1.0137e-04 5.8121e-04 2.7064e-03 -6.0000e+00 4.3054e-03 2.1861e-03 -3.9504e-04 3.5852e-05 3.2940e-05 -6.0000e+00 3.2327e-04 -3.0954e-02 5.6062e-05 12 1 1 12 1 1 99.80 22.25 0.21 -0.03095 -0.03392 52 36 1 5 0 269.250 25.39 19.99 22.25 18.06 32.2 1038.51 -2312 -2891 -3606 -5158 -2642 -2382 -2799 -2781 -2109 -1295 -2468 -1672 -3030 -1230 -1199 -1094 -746 24 351 -71 112 843 1366 347 510 0 -1031 -623 174 106 -34 1614 243 -479 -750 180 -888 -500 -216 -970 -553 -828 -379 -624 -414 -863 -41 -280 -388 776 897 577 616 853 779 932 686 259 741 1011 1284 1461 1301 669 -121 205 254 401 834 565 -228 -357 -545 -269 -303 219 135 245 454 -492 -497 -1215 -1478 -1198 -1038 -1015 -405 -339 -113 -317 159 303 698 1145 906 760 868 448 -246 -514 -376 -366 81 357 -567 -551 -512 -551 -89 82 -129 -192 -206 30 59 550 584 605 374 -278 -438 -320 -229 -202 252 531 769 1202 746 356 353 98 131 322 12 -17 -108 73 -393 -293 -340 -386 -188 -169 -238 -313 -442 -203 -173 -211 -233 -196 -128 -253 -177 -362 -168 -176 -180 -132 4 68 -14 23 175 287 77 121 0 -262 -152 40 24 -8 413 69 -143 -221 51 -270 -162 -83 -443 -264 -423 -200 -337 -224 -469 -22 -148 -204 407 492 341 367 537 512 630 475 181 508 683 880 1059 969 539 -101 165 191 310 629 473 -201 -335 -520 -249 -265 183 102 185 348 -395 -452 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