File name: Pandora21s1_Bremen_20221002_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T185853.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20221002_L1_smca1c6d20211128p1-8.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: 20221002 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]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20221002T064809.2Z 8310.283440 87 1 49.19 2 79.12 111.24 145.31 55.51 0.00 1 0.00 1 0 30 2.735e-01 5.064e-03 1.353e-01 1.793e-03 6.581720e-01 9.816455e-04 8.108263e-03 -6.000000e+00 1.623344e-01 226.21 -2.00 3.88 -2.00 321.18 0.00e+00 2.054976e-03 3.764069e-04 7.269284e-04 -6.000000e+00 6.550422e-03 277.22 -2.00 20.00 -2.00 320.87 0.00e+00 5.102 0.003 302.00 328.00 3 6.9275e-01 2.9324e-03 6.3530e-02 -6.0000e+00 4.0468e-01 4.6222e-02 4.1157e-03 3.9324e-02 -6.0000e+00 4.3989e-01 -2.7559e-02 4.9135e-03 2.2348e-02 -6.0000e+00 2.5889e-01 9.8280e-04 2.4549e-03 7.5758e-03 -6.0000e+00 1.0813e-01 8.5330e-04 -1.0814e-03 5.5913e-05 9.6120e-05 -6.0000e+00 8.2024e-03 -6.9240e-04 0.0000e+00 10 0 0 10 0 0 85.74 22.11 0.24 -0.00069 -0.00882 360 71 1 5 0 136.602 25.28 20.00 22.11 18.59 30.3 1005.89 50300 -135164 -103978 -113392 -72327 -51905 -76821 -63533 -143892 -21256 -97418 -21302 -53980 609 -40723 -8139 -25548 -21343 -9819 -31836 -8704 -11815 -7932 -14112 3875 -4676 -8502 -9580 -12489 -2483 -17096 1941 -4173 -934 -6948 -2511 -7321 -6152 1418 30 -826 -4891 1090 -2785 1775 -1418 -494 111 364 1383 813 4077 33 3107 583 2061 514 726 636 553 2420 878 2813 1537 1321 1007 1709 344 879 956 73 420 -178 336 -523 287 122 44 618 380 -447 -1070 -1536 -1732 -1128 -1082 -366 -379 387 302 549 1063 708 1196 688 574 612 516 -470 -258 -26 -236 531 56 -786 -1253 -759 -366 45 -72 -215 -5 44 222 489 718 543 415 -302 -609 -728 -329 -264 -262 19 -28 853 1153 491 171 206 143 235 205 -168 -224 -100 48 -403 -247 -20 88 238 88 -989 -612 -739 -329 -191 -390 -322 -1693 -89 -867 -112 -446 4 -486 -85 -370 -333 -150 -594 -147 -210 -143 -269 74 -95 -186 -211 -284 -55 -508 57 -153 -36 -267 -100 -306 -300 78 2 -65 -406 91 -250 156 -132 -47 11 37 151 99 538 5 503 104 381 100 142 123 105 462 184 654 407 378 292 487 102 281 346 30 169 -73 141 -204 101 40 14 216 155 -215 -556 -893 -1087 -751 -767 -272 -293 298 228 391 706 450 761 478 456 562 543 -553 -313 -30 -254 517 53 -781 -1330 -847 -434 58 -103 -319 -8 72 356 748 1044 778 611 -472 -999 -1210 -532 -410 -393 29 -41 1212 1646 766 282 377 284 493 454 -374 -529 -246 120 -1015 -610 -47 206 532 SS 20221002T065406.0Z 8310.287569 90 1 48.95 2 78.29 112.50 144.61 57.32 0.00 1 0.00 1 0 25 2.482e-01 4.811e-03 6.245e-02 1.379e-03 6.196602e-01 7.529768e-04 7.756592e-03 -6.000000e+00 1.473486e-01 226.21 -2.00 3.88 -2.00 320.98 0.00e+00 1.394299e-03 2.763738e-04 6.247645e-04 -6.000000e+00 5.945761e-03 277.22 -2.00 20.00 -2.00 320.67 0.00e+00 4.770 0.002 302.00 328.00 3 6.4242e-01 2.2454e-03 5.9552e-02 -6.0000e+00 3.6733e-01 2.7917e-02 3.0044e-03 3.6809e-02 -6.0000e+00 3.9928e-01 -7.0296e-03 3.4449e-03 2.0422e-02 -6.0000e+00 2.3499e-01 -8.7039e-03 1.7457e-03 6.7745e-03 -6.0000e+00 9.8144e-02 1.2810e-03 -8.7621e-04 4.3505e-05 8.9039e-05 -6.0000e+00 7.4453e-03 -6.5380e-04 0.0000e+00 10 0 0 10 0 0 96.60 22.11 0.20 -0.00065 -0.00724 450 88 1 5 0 108.763 25.28 20.00 22.11 18.97 30.1 1008.01 -109213 -102023 -71715 -86152 -116592 -68691 -82651 -36240 -76326 -73317 -53967 -49768 -55064 -26280 -16740 -4449 -2465 -19280 -4669 -21991 2273 -10760 1699 -9381 -5224 -2786 -13106 -2838 -18981 1789 -7491 -879 -1894 -1362 -1505 -3485 410 -2886 -923 -1514 470 81 1459 55 -34 33 -2000 2222 -350 2891 1286 1771 1384 1895 669 1072 451 200 843 -330 2219 1544 1494 777 740 1297 278 1398 769 1278 55 38 -462 -181 -538 -37 300 -136 -345 134 -570 -976 -1334 -1477 -1005 -990 -283 -58 102 203 480 1072 1160 1100 874 483 774 239 -154 -339 -138 -105 414 155 -759 -772 -757 -484 -134 -54 -141 -61 -27 211 366 807 560 291 -188 -715 -625 -297 -363 -342 98 162 866 1239 529 330 162 173 105 178 -141 -234 -79 37 -324 -115 -54 -92 319 -747 -773 -438 -611 -1069 -425 -576 -200 -653 -672 -442 -444 -639 -292 -213 -60 -38 -356 -82 -488 41 -228 33 -224 -131 -73 -392 -76 -595 48 -256 -31 -78 -61 -68 -160 20 -167 -64 -118 41 8 147 6 -4 4 -231 254 -43 367 182 280 243 361 138 232 102 46 188 -73 491 372 405 237 226 395 90 457 255 479 23 17 -210 -79 -219 -15 109 -49 -133 56 -279 -550 -837 -998 -721 -758 -228 -48 85 165 369 766 788 748 644 406 748 265 -176 -403 -158 -117 422 154 -792 -857 -889 -565 -168 -75 -217 -100 -46 346 571 1194 816 437 -298 -1194 -1060 -492 -580 -528 145 230 1181 1691 787 551 299 324 207 371 -313 -550 -192 92 -814 -283 -126 -204 673 SS 20221002T065936.0Z 8310.291389 93 1 49.39 2 77.53 113.67 143.95 58.94 0.00 1 0.00 1 0 25 1.846e-01 4.872e-03 4.703e-02 1.204e-03 5.888663e-01 6.492816e-04 7.435273e-03 -6.000000e+00 1.095661e-01 226.21 -2.00 3.88 -2.00 320.80 0.00e+00 1.105419e-03 2.295749e-04 5.424259e-04 -6.000000e+00 4.421288e-03 277.22 -2.00 20.00 -2.00 320.50 0.00e+00 4.501 0.002 302.00 328.00 3 6.8137e-01 1.9118e-03 5.6269e-02 -6.0000e+00 2.7314e-01 2.7500e-02 2.4761e-03 3.4685e-02 -6.0000e+00 2.9690e-01 -8.5994e-03 2.7365e-03 1.8848e-02 -6.0000e+00 1.7474e-01 -7.3650e-03 1.4023e-03 6.1143e-03 -6.0000e+00 7.2976e-02 1.6369e-03 -9.6618e-04 3.7960e-05 8.0959e-05 -6.0000e+00 5.5364e-03 -4.3696e-04 0.0000e+00 10 0 0 10 0 0 99.68 22.11 0.19 -0.00044 -0.00770 539 106 1 5 0 90.410 25.28 20.00 22.11 19.29 30.0 1009.27 -70284 -45348 -66719 -72957 -71868 -59508 -59431 -64866 -45809 -68835 -35732 -43279 -24312 -32858 -17367 -12815 -11519 -3116 -13591 3438 -13798 856 -8848 -7312 -7090 -4008 -3649 -8140 1883 -8175 2199 1089 -924 -4471 -3876 -2074 -2962 1016 -2433 776 -2224 772 -1585 300 356 -781 793 -1165 1823 682 1269 740 1742 808 514 1062 890 329 546 1004 422 1378 1716 1616 526 620 1135 1304 1062 237 214 -126 -216 -389 -97 406 259 499 166 -436 -754 -928 -1525 -1217 -1152 -851 -544 55 309 153 806 1084 1255 976 890 578 781 471 -239 -425 -198 -75 263 225 -822 -970 -758 -530 3 -181 -118 -152 28 70 434 599 590 312 -141 -693 -885 -297 -355 -138 6 295 881 1159 620 323 263 126 172 145 -30 -243 25 68 -360 -203 -54 -44 115 -473 -281 -556 -646 -598 -432 -463 -609 -406 -845 -339 -499 -283 -482 -272 -229 -232 -64 -338 77 -381 21 -248 -203 -215 -126 -117 -270 61 -282 78 46 -46 -250 -216 -113 -176 63 -192 71 -240 88 -196 38 46 -103 105 -161 255 102 208 135 348 177 113 243 211 79 129 250 108 351 487 511 179 211 377 438 385 98 99 -62 -107 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