File name: Pandora21s1_Bremen_20220911_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T122430.2Z 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_20220911_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: 20220911 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 20220911T081946.5Z 8289.347066 317 1 14.03 2 61.11 125.80 111.84 294.73 0.00 1 0.00 1 0 25 7.762e-03 5.194e-03 1.691e-03 5.404e-04 2.827138e-01 2.838356e-04 3.799956e-03 -6.000000e+00 4.659134e-03 229.21 -2.00 3.88 -2.00 317.16 0.00e+00 1.650265e-04 3.599237e-05 6.579843e-05 -6.000000e+00 1.859731e-04 280.02 -2.00 20.00 -2.00 316.85 0.00e+00 2.060 0.000 302.00 328.00 3 1.5362e+00 7.4798e-04 2.6224e-02 -6.0000e+00 1.1696e-02 5.1620e-03 8.3245e-04 1.6217e-02 -6.0000e+00 1.2686e-02 6.4551e-04 5.0461e-04 8.0312e-03 -6.0000e+00 7.4500e-03 -2.2994e-03 2.4730e-04 2.2864e-03 -6.0000e+00 3.0907e-03 1.0431e-02 -2.8544e-04 1.6752e-05 2.8892e-05 -6.0000e+00 2.3298e-04 -2.0171e-02 5.8237e-05 12 1 1 12 1 1 99.95 22.32 0.18 -0.02017 -0.02232 252 177 1 5 0 53.022 25.39 20.00 22.32 23.96 30.0 1018.20 -1619 -2209 -2724 -2726 -2219 -1732 -1013 -456 -1044 -1434 -1301 -684 -692 -662 -425 -710 -458 92 191 -75 481 574 1082 461 -109 -70 -268 -225 494 917 1037 1281 396 -841 -606 -431 -763 -614 -576 -753 -835 -811 -696 -617 -367 -474 -439 -490 -40 363 643 697 940 781 678 839 650 650 840 883 1182 1159 1135 444 106 106 225 405 850 261 -162 -277 -383 -354 -128 -115 266 361 401 -181 -476 -1034 -1527 -1250 -1005 -882 -576 -441 -194 -255 244 227 680 972 926 676 797 434 -232 -416 -332 -543 61 218 -633 -659 -476 -427 -54 90 1 -97 -94 -58 107 529 617 507 208 -233 -567 -228 -251 -77 338 349 845 1199 832 598 386 95 176 299 -18 -157 6 -38 -378 -292 -356 -414 -219 -170 -258 -331 -318 -235 -174 -105 -52 -133 -195 -180 -97 -108 -119 -81 -150 -103 22 46 -19 124 148 283 127 -32 -22 -82 -67 137 247 291 389 131 -292 -204 -142 -268 -231 -258 -370 -456 -471 -418 -375 -223 -288 -264 -289 -23 210 387 448 605 530 480 608 482 482 614 640 872 908 910 383 94 90 176 324 664 228 -148 -267 -376 -338 -114 -99 219 280 316 -149 -442 -1014 -1547 -1337 -1139 -1018 -703 -533 -236 -318 285 257 702 1003 982 742 925 533 -309 -563 -430 -685 72 255 -792 -841 -637 -573 -76 128 2 -152 -144 -84 151 725 820 690 287 -345 -838 -336 -379 -112 468 480 1105 1532 1110 856 564 145 264 460 -29 -259 10 -64 -645 -494 -608 -681 -349 SS 20220911T082937.3Z 8289.353904 320 1 47.19 2 59.93 128.28 113.09 296.91 0.00 1 0.00 1 0 25 8.689e-03 5.168e-03 6.734e-04 1.866e-04 2.718318e-01 9.757461e-05 3.649349e-03 -6.000000e+00 5.215892e-03 229.21 -2.00 3.88 -2.00 317.54 0.00e+00 1.589748e-04 1.356784e-05 6.916420e-05 -6.000000e+00 2.081909e-04 280.02 -2.00 20.00 -2.00 317.22 0.00e+00 1.987 0.000 302.00 328.00 3 4.0054e-01 2.5843e-04 2.5277e-02 -6.0000e+00 1.3093e-02 -7.3423e-03 2.8782e-04 1.5612e-02 -6.0000e+00 1.4202e-02 3.2850e-03 1.7831e-04 7.7496e-03 -6.0000e+00 8.3401e-03 -3.6311e-03 8.8857e-05 2.2203e-03 -6.0000e+00 3.4602e-03 3.5661e-02 -2.2800e-04 5.8594e-06 2.7693e-05 -6.0000e+00 2.6080e-04 -2.0507e-02 5.9392e-05 10 0 0 10 0 0 83.52 22.32 0.26 -0.02051 -0.02222 2589 508 1 5 0 16.757 25.39 20.00 22.32 25.51 30.1 1026.92 -2361 -2973 -3005 -3455 -2553 -1762 -1886 -1175 -1200 -1443 -1398 -243 -1127 -704 -601 -680 -403 -197 103 5 394 634 770 327 247 -13 -517 -136 444 1052 797 1300 485 -620 -793 -417 -832 -503 -443 -912 -878 -829 -718 -721 -383 -515 -444 -521 -172 552 634 783 871 808 663 829 729 554 771 978 1239 1224 1212 583 44 252 217 467 782 346 -191 -243 -384 -300 -205 15 176 381 515 -144 -510 -1079 -1468 -1236 -1025 -918 -533 -365 -181 -179 174 309 691 1075 985 764 789 463 -322 -461 -391 -538 134 229 -522 -633 -584 -434 -44 59 -25 -133 -125 -68 129 535 568 496 263 -289 -544 -254 -280 -58 307 312 845 1180 868 589 353 115 198 338 15 -132 -24 4 -401 -292 -302 -379 -179 -213 -298 -311 -344 -231 -150 -167 -114 -130 -166 -163 -29 -149 -106 -103 -129 -81 -41 22 1 91 146 180 80 64 -3 -142 -35 109 251 198 347 141 -188 -235 -120 -256 -177 -171 -414 -442 -444 -397 -404 -215 -288 -245 -282 -92 292 348 459 543 531 454 540 484 370 546 685 884 861 923 476 37 200 161 333 577 284 -173 -234 -375 -285 -183 12 130 283 388 -111 -444 -1049 -1446 -1286 -1130 -1083 -622 -443 -221 -214 208 339 694 1096 1031 812 930 568 -427 -622 -505 -647 160 273 -665 -807 -783 -609 -64 87 -39 -213 -196 -101 189 728 750 672 378 -419 -821 -385 -415 -88 443 429 1102 1503 1152 838 535 171 301 530 24 -230 -41 6 -715 -516 -517 -663 -303 SS 20220911T085101.6Z 8289.368769 330 1 49.62 2 57.51 133.84 115.70 301.77 0.00 1 0.00 1 0 25 2.841e-02 8.744e-03 2.065e-02 5.344e-03 2.649892e-01 2.792923e-03 3.533597e-03 -6.000000e+00 1.705991e-02 229.21 -2.00 3.88 -2.00 317.82 0.00e+00 5.019545e-05 4.121084e-04 7.147398e-05 -6.000000e+00 6.808746e-04 280.02 -2.00 20.00 -2.00 317.50 0.00e+00 1.855 0.000 302.00 328.00 3 6.2337e+00 7.4183e-03 2.4010e-02 -6.0000e+00 4.2825e-02 7.7597e-02 8.2839e-03 1.5174e-02 -6.0000e+00 4.6447e-02 -7.8527e-04 5.2060e-03 7.5397e-03 -6.0000e+00 2.7277e-02 -4.1476e-03 2.6127e-03 2.1692e-03 -6.0000e+00 1.1319e-02 1.1515e-04 8.4095e-05 1.6935e-04 2.7087e-05 -6.0000e+00 8.5270e-04 -2.0595e-02 1.1809e-04 11 8 0 10 0 0 99.96 22.33 0.57 -0.02059 -0.01996 25 5 1 5 0 1984.327 25.47 20.00 22.33 28.16 30.2 1037.59 -121 -7593 6413 -6259 3537 -16016 12281 -35 12306 -573 -2181 -3214 -1013 4767 -2190 8180 -7321 3957 155 1284 -2492 -1898 2475 -2316 4016 -4960 -634 -1173 2086 -1797 2060 337 2875 -1260 -243 1374 -3120 1881 -2656 405 -610 513 -1092 -793 58 -885 -937 71 693 -1577 858 -551 2430 958 -218 1910 -1236 2191 -1975 2368 853 1739 716 1242 949 -779 1004 -1272 -133 64 1655 53 456 172 -773 -1046 -2260 1130 -2467 40 -1200 -631 -2165 -632 -1090 253 267 164 855 -659 1936 735 934 -340 185 12 864 1310 -935 360 -1617 207 -1223 579 -2005 -906 -460 -571 551 -67 588 -313 1299 66 -15 -154 -612 -619 -53 155 -838 512 -41 905 -201 54 365 632 1104 -564 508 79 278 358 370 -190 112 204 421 -291 -493 -128 -901 -10 -764 582 -615 292 -1512 921 -3 1123 -62 -245 -374 -126 637 -354 1317 -1447 731 31 261 -538 -409 520 -533 918 -1284 -158 -282 460 -400 458 82 732 -345 -64 349 -876 576 -1003 172 -289 254 -567 -417 30 -465 -486 36 341 -795 438 -303 1376 578 -138 1211 -822 1414 -1310 1495 556 1189 531 972 756 -603 714 -891 -96 51 1402 48 417 154 -660 -822 -1636 746 -1707 29 -995 -572 -2137 -648 -1185 289 321 205 1070 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