File name: Pandora21s1_Bremen_20230119_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T132442.6Z 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_20230119_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: 20230119 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 20230119T121130.8Z 8419.507995 231 1 49.76 2 73.82 188.81 90.17 219.14 0.00 1 0.00 1 0 25 2.471e-01 5.589e-03 1.158e-01 2.245e-03 6.650390e-01 1.201578e-03 8.414988e-03 -6.000000e+00 1.444777e-01 221.67 -2.00 3.88 -2.00 320.80 0.00e+00 1.956564e-03 4.311724e-04 6.368381e-04 -6.000000e+00 5.927363e-03 265.74 -2.00 20.00 -2.00 320.51 0.00e+00 3.531 0.001 302.00 328.00 3 2.9512e+00 3.4890e-03 5.1539e-02 -6.0000e+00 3.5658e-01 5.0563e-02 4.6894e-03 3.8403e-02 -6.0000e+00 3.8858e-01 -1.8174e-02 5.4233e-03 2.1647e-02 -6.0000e+00 2.2946e-01 -3.0512e-03 2.7712e-03 7.2695e-03 -6.0000e+00 9.6851e-02 3.7179e-04 -1.0437e-03 6.6472e-05 9.3522e-05 -6.0000e+00 7.4036e-03 -3.1005e-02 8.1724e-05 10 0 0 10 0 0 98.69 22.16 0.13 -0.03100 -0.03885 107 21 1 5 0 464.922 25.28 20.00 22.16 10.66 30.5 1004.14 -89549 -90249 -90824 -43174 -90208 -108264 -3744 -131082 -41774 -72703 2430 -80314 -2798 -41630 -14799 -19847 -19485 18213 -29540 -6718 8309 23435 6109 15381 -17407 1678 -13237 -14712 -5365 -20502 4056 -177 5200 -5908 1372 -2513 -2325 -2292 -1193 3417 -2655 -862 -4688 962 -1469 771 -1283 -268 2000 -1555 3635 1004 2366 -363 1585 1086 293 902 -166 1553 1356 2245 1592 1808 604 1135 1340 341 1297 -602 334 -586 189 -408 758 -21 969 977 -361 -50 -1069 -473 -1495 -1339 -1205 -867 -399 -311 149 -56 1045 733 1467 1074 900 779 718 539 -418 -314 -211 26 275 454 -1426 -545 -1047 -694 -100 30 -161 -134 216 35 575 570 699 314 -241 -720 -892 -248 -173 -403 -47 228 728 1207 645 205 456 182 193 187 9 -350 -35 -83 -344 -190 -227 95 314 -518 -621 -688 -221 -666 -916 -14 -1582 -265 -658 12 -930 -20 -520 -181 -302 -337 253 -670 -133 150 379 119 296 -482 42 -389 -437 -147 -674 122 -7 211 -290 64 -120 -118 -134 -83 270 -254 -89 -530 107 -171 90 -156 -33 256 -219 535 169 433 -74 341 247 69 214 -39 354 314 552 440 558 204 387 451 118 477 -253 154 -289 94 -196 335 -8 360 357 -143 -23 -568 -285 -1006 -963 -915 -694 -334 -268 129 -48 836 553 1050 772 695 677 711 602 -515 -399 -261 30 288 456 -1501 -600 -1211 -845 -129 43 -249 -221 364 58 918 874 1050 482 -385 -1199 -1503 -406 -274 -621 -70 326 1009 1668 956 337 815 347 386 389 20 -805 -83 -198 -827 -448 -515 206 649 SS 20230119T121840.2Z 8419.512966 235 1 18.64 2 74.00 190.55 90.83 220.51 0.00 1 0.00 1 0 25 2.983e-01 7.196e-03 1.416e-01 3.404e-03 6.712227e-01 1.799779e-03 8.547429e-03 -6.000000e+00 1.743731e-01 221.67 -2.00 3.88 -2.00 320.50 0.00e+00 1.407751e-03 6.059811e-04 5.694525e-04 -6.000000e+00 7.153696e-03 265.74 -2.00 20.00 -2.00 320.22 0.00e+00 3.569 0.001 302.00 328.00 3 3.2155e+00 5.1226e-03 5.1858e-02 -6.0000e+00 4.3036e-01 7.5665e-02 6.6217e-03 3.8278e-02 -6.0000e+00 4.6898e-01 -5.1116e-02 7.3416e-03 2.1123e-02 -6.0000e+00 2.7693e-01 1.1521e-02 3.8085e-03 6.9421e-03 -6.0000e+00 1.1689e-01 2.7293e-04 -9.7154e-04 9.7627e-05 8.6968e-05 -6.0000e+00 8.9351e-03 -3.1270e-02 8.4990e-05 12 9 1 12 1 1 97.53 22.16 0.23 -0.03127 -0.03857 21 12 1 5 0 835.419 25.28 19.99 22.16 10.87 30.8 1005.26 -145053 -99007 -19782 -145574 -55238 -131353 -25908 -101312 -30127 -113945 -71587 -80527 -59437 -41499 -30838 -15354 -23086 -31090 -25741 -11604 -26270 -16440 -1832 16007 17714 -15806 -6159 -17380 -8954 -19044 -2201 -8752 -10390 2646 -7302 7899 -2950 2982 1966 -942 -3159 -535 -2593 -2096 -818 -1299 4726 -2389 2535 1151 5468 2862 1756 1042 822 2122 2130 1976 407 3125 331 2907 1420 1750 62 502 1173 -243 2007 426 943 -261 788 -253 727 -548 58 1194 -1074 526 -1189 -56 -1659 -1806 -1017 -718 -700 -905 416 208 772 710 1572 1268 137 395 760 570 -323 -380 -284 1 66 642 -1727 -1041 -890 -769 309 -312 -534 -202 -34 443 80 788 495 556 -307 -498 -719 -97 -387 139 -40 369 771 1149 919 439 482 364 369 171 184 -583 -282 188 -737 -159 -46 -35 84 -1556 -876 -88 -2119 -336 -1543 -122 -1149 -192 -1717 -832 -1069 -789 -593 -504 -263 -495 -752 -647 -290 -735 -458 -46 364 434 -540 -197 -618 -291 -723 -81 -415 -586 144 -445 410 -182 202 153 -91 -359 -65 -342 -285 -112 -182 638 -358 379 187 934 562 387 253 214 538 559 524 115 837 92 847 442 611 24 195 447 -96 831 202 497 -148 446 -139 365 -252 25 487 -482 268 -725 -36 -1227 -1440 -854 -603 -618 -830 379 185 683 588 1225 992 117 362 802 653 -413 -505 -364 1 74 682 -1941 -1232 -1050 -962 413 -442 -844 -327 -57 722 132 1219 751 860 -501 -809 -1183 -162 -623 214 -60 523 1107 1644 1352 731 848 693 708 347 379 -1280 -639 430 -1709 -359 -99 -74 167 SS 20230119T122409.4Z 8419.516775 238 1 50.10 2 74.16 191.87 91.36 221.56 0.00 1 0.00 1 0 25 2.579e-01 6.751e-03 2.841e-01 4.971e-03 6.702755e-01 2.704270e-03 8.470500e-03 -6.000000e+00 1.524267e-01 221.67 -2.00 3.88 -2.00 320.97 0.00e+00 3.139881e-04 1.005900e-03 6.853638e-04 -6.000000e+00 6.297238e-03 265.74 -2.00 20.00 -2.00 320.68 0.00e+00 3.602 0.001 302.00 328.00 3 3.9433e+00 7.9737e-03 5.2371e-02 -6.0000e+00 3.7590e-01 7.2450e-03 1.0976e-02 3.9031e-02 -6.0000e+00 4.1001e-01 4.3283e-02 1.2969e-02 2.2227e-02 -6.0000e+00 2.4070e-01 -2.5614e-02 6.5644e-03 7.5390e-03 -6.0000e+00 1.0098e-01 1.2942e-04 -1.3837e-03 1.5152e-04 9.9187e-05 -6.0000e+00 7.7754e-03 -2.9776e-02 -1.1172e-05 11 8 0 10 0 0 99.99 22.16 0.08 -0.02978 -0.04017 75 15 1 5 0 667.812 25.28 20.00 22.16 11.03 30.8 1006.71 -136585 -59518 -68243 -87542 131360 900000 900000 12349 39670 -6126 -87900 17476 69105 -30716 -24862 45064 62261 -22441 -39931 39492 25264 -30606 39571 -9464 26317 59252 -31372 14238 -26032 31806 -316 7541 18550 12399 -7805 -2972 10443 -6093 10510 -8030 -91 1823 3836 -4871 336 11949 -4312 4966 -2527 2169 -951 -4337 -884 -207 -1813 1341 1180 -200 4619 -294 2216 -386 2466 -990 -85 1962 2012 2418 414 -201 -2607 464 979 1109 -1036 231 1184 743 2603 410 -306 -891 -1377 -2476 -1440 -1639 -501 -552 -339 408 357 986 920 1082 2328 891 1136 255 329 -328 221 205 297 202 -1519 -416 -1139 -426 -134 193 -503 325 171 156 59 694 615 302 166 -874 -535 -1223 236 -741 241 -39 1427 1107 -118 412 272 281 207 12 14 -186 -268 -157 -322 -184 96 -214 713 -1058 -290 -390 -594 637 900000 900000 60 192 -31 -919 88 335 -331 -310 381 519 -401 -888 495 368 -711 549 -209 475 880 -995 312 -788 633 -9 239 614 470 -356 -130 433 -334 596 -637 -8 165 361 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