File name: Pandora21s1_Bremen_20220321_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T111746.4Z 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_20220321_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: 20220321 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 20220321T071314.6Z 8115.300864 266 1 23.47 2 74.90 110.56 95.04 253.18 0.00 1 0.00 1 0 25 1.863e-01 5.900e-03 1.800e-01 4.432e-03 5.834343e-01 2.358600e-03 7.400596e-03 -6.000000e+00 1.101652e-01 225.50 -2.00 3.88 -2.00 320.42 0.00e+00 1.372850e-03 7.597092e-04 4.581410e-04 -6.000000e+00 4.460889e-03 269.01 -2.00 20.00 -2.00 320.13 0.00e+00 3.767 0.001 302.00 328.00 3 3.4637e+00 6.7266e-03 5.0245e-02 -6.0000e+00 2.7417e-01 7.4915e-02 8.3932e-03 3.3673e-02 -6.0000e+00 2.9828e-01 -3.8415e-02 8.8343e-03 1.8126e-02 -6.0000e+00 1.7564e-01 2.9920e-03 4.6216e-03 5.8051e-03 -6.0000e+00 7.3380e-02 1.9521e-04 -9.9277e-04 1.3558e-04 7.3108e-05 -6.0000e+00 5.5869e-03 6.0087e-03 0.0000e+00 12 1 1 12 1 1 99.91 22.28 0.24 0.00601 -0.00145 20 9 1 5 0 1107.276 25.28 19.99 22.28 13.32 28.1 1025.71 -129196 14514 -34307 61822 -1936 -77356 -18499 -53362 3463 -61198 38771 -79596 -5761 -28232 -4250 9268 12973 30910 -13368 204 -22205 9374 5004 16022 4484 -8266 -16804 -15528 -5586 -12967 13249 -8885 2162 -8465 -136 -6759 -350 -7901 -4094 4452 -3376 433 -1380 458 61 2974 -242 3887 1938 702 4062 -164 2225 -1460 746 1789 783 260 658 1817 -2141 1565 811 2025 236 263 1421 956 1421 1713 -388 47 854 -317 -1229 621 714 565 -564 500 -923 -1199 -1813 -955 -1193 -280 -656 -201 194 -61 1069 522 1352 532 792 621 566 250 -286 -121 -137 -563 -124 394 -885 -557 -799 -462 -115 -47 255 -571 -19 129 438 405 459 500 -242 -627 -721 264 -254 154 -100 210 563 979 946 230 -144 230 172 81 -132 -260 110 61 -271 97 -92 -296 -44 -2158 77 -305 267 -12 -944 -142 -629 28 -938 259 -1698 -76 -560 -83 187 283 629 -433 6 -849 275 159 494 166 -362 -811 -732 -239 -620 564 -536 134 -619 -9 -485 -25 -714 -429 509 -469 63 -214 72 10 471 -40 636 335 130 790 -37 531 -389 206 512 233 78 194 523 -653 495 287 780 98 108 568 388 616 829 -210 27 484 -175 -640 291 310 242 -261 260 -558 -816 -1355 -752 -995 -245 -603 -189 183 -56 933 431 1057 418 662 580 593 293 -362 -157 -171 -657 -135 416 -982 -649 -975 -590 -156 -69 401 -949 -33 212 687 610 682 757 -384 -1036 -1205 432 -405 238 -150 305 792 1377 1414 376 -254 426 331 163 -278 -569 247 139 -619 219 -200 -619 -89 SS 20220321T071957.4Z 8115.305525 270 1 50.14 2 73.96 112.00 96.00 254.44 0.00 1 0.00 1 0 25 1.005e-01 4.427e-03 4.097e-02 1.317e-03 5.524611e-01 7.018765e-04 7.005143e-03 -6.000000e+00 5.945368e-02 225.50 -2.00 3.88 -2.00 320.41 0.00e+00 1.336591e-03 2.234159e-04 4.302226e-04 -6.000000e+00 2.407063e-03 269.01 -2.00 20.00 -2.00 320.11 0.00e+00 3.560 0.001 302.00 328.00 3 1.9673e+00 1.9837e-03 4.7506e-02 -6.0000e+00 1.4797e-01 3.1451e-02 2.4670e-03 3.1846e-02 -6.0000e+00 1.6097e-01 -2.4198e-02 2.5841e-03 1.7172e-02 -6.0000e+00 9.4782e-02 -1.0803e-03 1.3548e-03 5.5211e-03 -6.0000e+00 3.9607e-02 1.1248e-03 -6.7640e-04 4.0845e-05 6.9960e-05 -6.0000e+00 3.0145e-03 4.8489e-03 0.0000e+00 10 0 0 10 0 0 61.95 22.28 0.24 0.00485 -0.00023 263 52 1 5 0 190.620 25.28 19.99 22.28 13.66 28.4 1027.21 -19835 -31330 -21823 -357 -37381 -33204 -45552 -54077 -35808 -32359 -28391 -17421 -17648 -14347 -1643 -7348 -4015 3475 -6078 1670 -7419 920 -7962 412 -834 -4449 -4074 151 -5512 -3577 -1654 -3746 5102 196 -1320 228 -70 -255 -295 -1492 -3286 -1488 -2581 96 -832 -938 -602 -203 448 -436 1382 1124 1431 354 824 650 1153 -180 153 231 501 1311 1301 1098 270 690 384 837 829 556 290 -340 545 -181 155 -52 561 327 762 -105 -298 -1041 -1642 -1199 -1045 -730 -490 -176 67 221 756 1036 908 1392 1342 523 665 501 -305 -280 -249 -307 149 222 -877 -653 -747 -281 -117 -71 -260 -250 -141 -15 257 556 571 302 10 -468 -447 -261 -261 -160 166 200 832 1051 422 216 129 29 101 179 -35 -112 35 100 -305 -239 -3 -80 -11 -144 -296 -201 -3 -375 -314 -521 -764 -477 -454 -408 -250 -282 -276 -34 -192 -114 101 -193 52 -262 30 -299 15 -34 -200 -186 7 -247 -164 -84 -228 323 14 -95 16 -5 -23 -32 -182 -463 -223 -412 15 -136 -156 -101 -35 79 -82 276 249 346 94 230 190 345 -55 46 68 150 420 464 434 114 287 156 341 363 275 159 -199 318 -102 81 -25 243 139 345 -55 -181 -723 -1180 -917 -850 -631 -445 -165 63 202 649 825 733 1111 1071 475 689 588 -395 -371 -317 -358 159 232 -969 -766 -924 -366 -164 -102 -411 -418 -238 -24 398 813 819 446 16 -769 -746 -428 -412 -245 242 299 1190 1504 612 349 228 55 199 349 -72 -246 79 231 -711 -546 -6 -165 -21 SS 20220321T072552.5Z 8115.309636 273 1 50.03 2 73.14 113.28 96.84 255.55 0.00 1 0.00 1 0 25 7.405e-02 4.402e-03 2.894e-02 1.093e-03 5.291065e-01 5.783958e-04 6.773464e-03 -6.000000e+00 4.380797e-02 225.50 -2.00 3.88 -2.00 320.23 0.00e+00 1.137536e-03 1.760939e-04 3.844275e-04 -6.000000e+00 1.773579e-03 269.01 -2.00 20.00 -2.00 319.94 0.00e+00 3.396 0.001 302.00 328.00 3 1.8310e+00 1.6357e-03 4.5431e-02 -6.0000e+00 1.0903e-01 2.6665e-02 1.9870e-03 3.0473e-02 -6.0000e+00 1.1861e-01 -2.3273e-02 1.9868e-03 1.6184e-02 -6.0000e+00 6.9839e-02 -3.8416e-04 1.0494e-03 5.0981e-03 -6.0000e+00 2.9185e-02 1.5485e-03 -6.1791e-04 3.3746e-05 6.4630e-05 -6.0000e+00 2.2212e-03 4.6617e-03 0.0000e+00 10 0 0 10 0 0 16.68 22.28 0.20 0.00466 0.00002 328 64 1 5 0 152.466 25.28 19.99 22.28 13.90 28.3 1028.75 -17084 -18843 -20801 -14629 -39327 -11610 -47260 -20169 -14552 -21232 -8974 -23670 -6033 -10084 -1416 -11097 -2049 -5415 349 608 -2561 -991 -713 2466 -5646 -2334 -7962 -2349 -5236 198 502 1185 1435 -2524 -633 -4196 -1106 -2766 -675 -2157 -1645 -1749 -2258 148 -1177 407 -1349 344 -854 987 1045 910 1287 1391 867 -3 533 226 730 216 1450 970 1605 949 128 974 285 1252 672 856 -164 197 -121 27 33 -231 492 -42 385 -626 -361 -1209 -1165 -1125 -1025 -607 -445 -109 -102 324 473 925 835 1072 884 797 997 283 -275 -432 -218 -325 282 249 -836 -664 -629 -264 -198 -17 -259 -235 -215 19 209 555 648 389 140 -584 -452 -143 -249 -150 179 216 780 1123 393 352 86 -3 33 214 -148 -167 110 50 -234 -277 33 -161 66 -157 -205 -246 -160 -475 -114 -647 -260 -200 -311 -124 -418 -107 -231 -36 -340 -64 -192 13 23 -104 -40 -30 108 -290 -123 -451 -123 -278 10 29 80 109 -213 -52 -356 -98 -271 -79 -303 -260 -300 -408 27 -219 76 -258 66 -170 203 233 224 344 401 266 -1 176 75 237 70 473 342 625 410 59 437 125 546 316 452 -90 114 -71 17 18 -118 229 -19 186 -349 -232 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