File name: Pandora21s1_Bremen_20221216_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T131532.0Z 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_20221216_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: 20221216 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 20221216T100754.4Z 8385.422157 373 1 49.36 2 78.01 163.04 73.90 256.14 0.00 1 0.00 1 0 25 2.611e-01 4.873e-03 6.289e-02 1.336e-03 6.528911e-01 7.145684e-04 8.131260e-03 -6.000000e+00 1.517166e-01 219.98 -2.00 3.88 -2.00 320.96 0.00e+00 2.463322e-03 2.654737e-04 6.917629e-04 -6.000000e+00 6.263549e-03 267.46 -2.00 20.00 -2.00 320.67 0.00e+00 4.670 0.002 302.00 328.00 3 7.8219e-01 2.0902e-03 5.8870e-02 -6.0000e+00 3.7312e-01 8.7829e-02 2.8606e-03 3.7644e-02 -6.0000e+00 4.0699e-01 -4.6025e-02 3.3607e-03 2.1666e-02 -6.0000e+00 2.4060e-01 3.9607e-03 1.7056e-03 7.4714e-03 -6.0000e+00 1.0195e-01 1.1632e-03 -4.2018e-04 4.0593e-05 9.5403e-05 -6.0000e+00 7.8178e-03 -3.2198e-02 1.4944e-04 10 0 0 10 0 0 31.07 21.92 0.22 -0.03220 -0.03536 490 96 1 5 0 100.704 25.07 19.98 21.92 6.14 29.4 1017.50 -132735 -76030 -114826 -74868 -83516 -85972 -94460 -73743 -60827 -77345 -62132 -52594 -33988 -32702 -3902 -33577 -4523 -15624 -15371 -14573 -7817 -10875 -20118 -2448 -15393 1925 -11856 -8693 -8925 -4356 -2582 -8457 -2890 -6553 933 -4326 2743 -4173 194 -249 -2541 484 -1067 1961 -210 1596 2040 2327 -2 1275 1732 732 2509 469 1150 678 659 -503 420 1091 897 1155 1254 2045 314 1593 -218 1450 1048 884 288 -147 69 -166 -126 73 1291 7 446 -370 -670 -1212 -1706 -1356 -1242 -562 -613 -196 -61 389 663 1298 1000 1175 1142 287 939 355 -246 -127 -181 -57 542 347 -809 -932 -941 -374 -168 11 -236 -286 -185 -112 169 644 790 498 63 -562 -670 -282 -188 -263 434 71 528 1143 511 179 138 57 86 227 -59 -231 9 81 -308 -185 -121 -65 220 -1054 -414 -1020 -452 -524 -540 -683 -489 -444 -669 -501 -436 -290 -356 -41 -577 -68 -268 -289 -290 -151 -221 -465 -51 -401 45 -330 -233 -239 -118 -80 -332 -116 -301 40 -195 123 -233 13 -20 -236 44 -106 196 -22 167 219 257 0 160 238 114 424 88 231 144 144 -112 91 231 193 267 326 594 101 511 -70 467 365 349 128 -70 33 -76 -54 28 451 3 166 -161 -343 -671 -1057 -902 -877 -419 -483 -159 -50 309 498 906 666 782 821 237 892 388 -299 -161 -221 -64 548 337 -822 -1007 -1074 -451 -220 15 -356 -466 -309 -184 265 955 1145 740 98 -926 -1119 -459 -293 -397 626 105 754 1627 792 293 251 113 180 469 -131 -539 23 200 -764 -450 -281 -141 482 SS 20221216T101528.3Z 8385.427411 377 1 49.80 2 77.69 164.78 75.00 257.67 0.00 1 0.00 1 0 25 2.865e-01 5.994e-03 1.685e-01 3.171e-03 6.418425e-01 1.706775e-03 8.070272e-03 -6.000000e+00 1.663558e-01 219.98 -2.00 3.88 -2.00 321.02 0.00e+00 1.537162e-03 6.403337e-04 6.831215e-04 -6.000000e+00 6.869477e-03 267.46 -2.00 20.00 -2.00 320.72 0.00e+00 4.559 0.002 302.00 328.00 3 2.1321e+00 5.0518e-03 5.7768e-02 -6.0000e+00 4.0912e-01 5.8243e-02 6.8631e-03 3.7178e-02 -6.0000e+00 4.4634e-01 -1.5449e-03 7.9683e-03 2.1289e-02 -6.0000e+00 2.6387e-01 -1.1985e-02 4.0433e-03 7.3158e-03 -6.0000e+00 1.1175e-01 3.3885e-04 -9.0713e-04 9.8231e-05 9.6280e-05 -6.0000e+00 8.5776e-03 -3.0684e-02 5.5188e-05 10 0 0 10 0 0 99.88 21.92 0.17 -0.03068 -0.03750 262 51 1 5 0 189.850 25.07 20.01 21.92 7.36 30.3 1025.46 -165023 -89193 -98602 -95691 -66911 -80603 -60359 -79786 18064 -127979 70673 -74748 -16654 10139 -234 3849 -17188 47068 -41138 40636 -11503 17184 -14478 -13880 -5291 -22222 2825 -2751 21945 -15585 -2358 -9169 12041 432 11200 10931 -2198 8374 -4105 4910 -6623 2292 -2451 3320 -3052 -1446 3018 -5282 8014 -1097 6369 1742 4465 1376 2403 -345 -418 3488 -244 2622 -462 4177 1841 1432 -286 93 717 33 217 -422 998 -727 544 -1028 360 547 -421 997 -559 710 -1506 -49 -2051 -453 -1107 -1049 -679 -628 -5 -66 1082 383 1655 619 1316 256 1259 623 -489 -139 -431 529 95 536 -1147 -519 -1110 -323 173 -169 63 -588 114 -63 343 674 411 296 -102 -398 -644 69 -412 17 -153 268 541 1019 589 150 198 -141 200 -92 258 -345 249 123 -534 -200 -198 173 222 -1943 -644 -829 -793 -414 -561 -381 -668 71 -1964 219 -862 -144 86 -3 50 -307 536 -1035 556 -248 305 -343 -355 -137 -705 75 -77 492 -501 -77 -358 459 20 464 452 -108 430 -283 363 -615 214 -255 339 -339 -161 331 -650 904 -141 835 268 741 251 465 -72 -91 735 -52 537 -99 920 466 410 -88 29 223 11 72 -160 417 -328 245 -452 145 204 -146 335 -205 289 -736 -27 -1290 -302 -770 -776 -528 -506 -4 -52 818 273 1105 418 951 207 1165 663 -582 -166 -513 573 94 506 -1143 -546 -1239 -380 220 -232 95 -969 192 -105 540 1004 600 442 -160 -656 -1079 113 -648 26 -228 384 745 1398 876 246 359 -278 405 -196 584 -831 603 305 -1334 -501 -472 388 471 SS 20221216T102056.2Z 8385.431206 380 1 11.24 2 77.49 166.05 75.80 258.76 0.00 1 0.00 1 0 25 2.194e-01 6.651e-03 1.557e-01 3.894e-03 6.302636e-01 2.043533e-03 8.012444e-03 -6.000000e+00 1.274950e-01 219.98 -2.00 3.88 -2.00 320.46 0.00e+00 2.938034e-03 6.800104e-04 5.323039e-04 -6.000000e+00 5.263330e-03 267.46 -2.00 20.00 -2.00 320.18 0.00e+00 4.489 0.002 302.00 328.00 3 2.2000e+00 5.8047e-03 5.6499e-02 -6.0000e+00 3.1355e-01 1.1451e-01 7.3677e-03 3.5621e-02 -6.0000e+00 3.4200e-01 -8.2832e-02 7.9567e-03 1.9594e-02 -6.0000e+00 2.0219e-01 2.5375e-02 4.1553e-03 6.4654e-03 -6.0000e+00 8.5680e-02 3.3757e-04 -5.3198e-04 1.1428e-04 8.2776e-05 -6.0000e+00 6.5689e-03 -3.2765e-02 1.5601e-04 12 9 1 12 1 1 -41.23 21.92 0.21 -0.03276 -0.03676 23 21 1 5 0 461.375 25.07 19.98 21.92 8.08 29.8 1027.30 882 -102294 -90922 -91960 -85627 -45222 -77919 19514 -98823 -8199 -63634 10417 -22742 -19663 -36541 -37002 -23463 -22680 5677 -17112 4990 -14771 -2738 -36534 -10119 22201 -2834 4041 -20871 10986 -2983 16607 5652 691 -3511 3667 -556 -7093 7296 -6370 -1545 -4416 -279 -1413 945 4959 1640 411 -4167 2847 -1679 4885 3044 1599 1306 3394 2034 22 1380 -2673 1935 723 1794 1055 1826 1669 2261 899 1310 944 -270 1588 -1054 837 420 323 271 -1027 -124 -1116 29 -1620 -1046 -1847 -456 -1676 -835 -350 -1000 535 510 579 -23 720 846 771 822 304 -427 -452 254 -702 972 348 -517 -673 -482 -512 91 296 -233 158 -398 -58 -236 700 1056 565 -31 -706 -455 -200 131 -428 361 -108 665 1021 667 205 -299 178 256 290 -457 -410 58 235 -112 -56 -180 -217 104 4 -1311 -1144 -1179 -976 -355 -832 94 -1545 -64 -876 82 -286 -308 -808 -1000 -639 -646 141 -534 137 -474 -80 -1611 -372 665 -106 140 -920 371 -133 725 304 43 -229 220 -37 -581 627 -715 -190 -610 -39 -208 139 715 250 66 -726 491 -332 1007 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