File name: Pandora21s1_Bremen_20220721_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T172958.9Z 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_20220721_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: 20220721 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 20220721T084122.8Z 8237.362069 339 1 50.39 2 46.02 118.46 53.21 236.57 0.00 1 0.00 1 0 17 1.712e-02 8.045e-03 1.501e-02 5.120e-03 2.271982e-01 2.719422e-03 2.968851e-03 -6.000000e+00 1.044824e-02 233.81 -2.00 3.88 -2.00 317.26 0.00e+00 4.553484e-04 3.421001e-04 5.201981e-05 -6.000000e+00 4.100058e-04 282.77 -2.00 20.00 -2.00 316.94 0.00e+00 1.438 0.000 302.00 328.00 3 6.5448e+00 7.2377e-03 1.9688e-02 -6.0000e+00 2.6525e-02 5.2282e-02 8.0296e-03 1.3120e-02 -6.0000e+00 2.8672e-02 1.1122e-03 4.8114e-03 6.4096e-03 -6.0000e+00 1.6775e-02 1.0296e-03 2.3089e-03 1.7911e-03 -6.0000e+00 6.8976e-03 1.3465e-04 -2.8030e-04 1.6149e-04 2.2049e-05 -6.0000e+00 5.1448e-04 -3.0905e-04 0.0000e+00 11 8 0 10 0 0 99.94 22.54 0.56 -0.00031 -0.00242 20 4 1 5 0 2519.231 25.58 20.00 22.54 25.96 30.0 988.02 6152 729 -2054 -8067 2834 -4484 -149 2232 1052 -1180 -4557 268 -7911 1484 -1431 -1133 216 517 3900 -33 2859 1617 -453 2603 1918 -974 -1129 -1420 870 266 -2636 2686 369 1915 -2914 535 427 -2619 1584 -1023 734 -470 -499 151 -626 -1153 -2308 188 -1475 -198 -1465 1226 786 1128 -425 3132 903 144 -35 -639 934 1366 1213 1245 1561 -360 -409 -1607 -790 380 1076 619 286 1188 -680 141 -1984 -1593 -2196 -1894 -2037 -1486 -304 -1318 221 -479 1099 418 535 814 3 194 -550 260 -1186 299 -765 1559 254 399 195 -285 -776 -1019 -863 -800 -463 -362 701 449 1029 498 410 -3 -877 -355 -970 -903 -456 453 -179 133 889 620 536 -25 284 -123 -76 -613 -76 -450 239 369 -105 124 134 922 -404 608 -215 -253 -995 705 95 -282 -1119 324 -523 -17 278 145 -175 -701 40 -1392 269 -299 -257 51 126 948 -9 739 424 -123 712 554 -299 -346 -418 236 70 -738 762 114 599 -925 161 136 -978 669 -511 395 -270 -294 90 -375 -692 -1380 107 -834 -110 -851 734 499 746 -294 2141 640 103 -25 -452 665 1022 973 1052 1329 -297 -313 -1196 -601 313 962 585 275 1107 -611 116 -1511 -1134 -1583 -1475 -1761 -1398 -302 -1392 243 -563 1345 533 688 1023 3 215 -564 251 -1180 314 -888 1933 339 537 253 -347 -902 -1188 -1060 -1042 -627 -509 1016 683 1628 808 655 -4 -1252 -473 -1264 -1199 -635 663 -273 204 1329 903 748 -34 363 -155 -98 -840 -109 -663 357 563 -168 206 231 1615 -722 1071 -372 -425 -1641 SS 20220721T091557.2Z 8237.386079 364 1 37.06 2 41.69 128.36 57.55 245.11 0.00 1 0.00 1 0 17 6.820e-03 4.923e-03 2.322e-03 1.084e-03 1.941068e-01 5.768251e-04 2.600484e-03 -6.000000e+00 4.160889e-03 233.81 -2.00 3.88 -2.00 316.35 0.00e+00 1.253823e-04 5.888989e-05 3.269303e-05 -6.000000e+00 1.633264e-04 282.77 -2.00 20.00 -2.00 316.03 0.00e+00 1.338 0.000 302.00 328.00 3 4.2484e+00 1.5217e-03 1.7663e-02 -6.0000e+00 1.0563e-02 1.0259e-02 1.6838e-03 1.1327e-02 -6.0000e+00 1.1419e-02 6.6894e-03 9.7434e-04 5.5171e-03 -6.0000e+00 6.6810e-03 -3.7951e-03 4.4518e-04 1.5250e-03 -6.0000e+00 2.7461e-03 1.6087e-03 -2.9199e-04 3.3573e-05 2.0374e-05 -6.0000e+00 2.0497e-04 2.0377e-03 0.0000e+00 12 1 1 12 1 1 99.99 22.55 0.22 0.00204 -0.00016 93 25 1 5 0 392.338 25.58 20.00 22.55 28.23 30.2 999.76 -384 -953 -2482 -2836 -956 -1239 73 659 157 96 101 1192 747 281 231 -301 -136 167 354 298 519 892 773 183 110 -24 -249 -689 540 989 1540 1622 471 -656 -914 -484 -606 -114 -64 -655 -910 -804 -949 -801 -741 -593 -1014 -1005 -366 456 643 751 748 810 459 558 630 264 529 1020 1388 1033 1135 613 -79 -81 -40 208 711 452 -98 -40 -43 -56 -38 -116 60 250 249 -188 -674 -1134 -1459 -1057 -1080 -687 -219 -343 36 -299 272 198 540 803 783 562 837 469 -228 -306 -313 -350 -30 112 -638 -591 -369 -269 52 33 25 -49 -152 -53 76 391 400 236 202 -273 -524 -127 -242 -22 313 318 783 984 616 435 236 124 258 241 135 -46 81 112 -380 -282 -320 -355 -331 -71 -191 -510 -553 -166 -203 12 121 32 20 21 253 172 72 66 -94 -44 56 121 105 186 319 279 69 43 -10 -101 -268 194 340 535 596 185 -267 -359 -184 -245 -53 -35 -387 -593 -551 -670 -570 -526 -417 -702 -673 -236 289 419 516 542 613 359 444 509 214 422 807 1117 881 1038 556 -72 -75 -34 168 586 412 -92 -39 -43 -55 -35 -105 49 189 189 -155 -623 -1086 -1506 -1145 -1243 -842 -267 -436 46 -374 338 225 557 830 820 595 971 599 -294 -400 -391 -433 -35 131 -797 -743 -485 -369 74 49 37 -75 -225 -79 102 519 515 311 265 -386 -777 -189 -355 -31 419 430 1001 1224 790 592 319 173 365 351 205 -69 128 182 -625 -460 -509 -547 -526 SS 20220721T093444.0Z 8237.399121 370 1 28.86 2 39.57 134.29 60.04 249.45 0.00 1 0.00 1 0 17 6.916e-03 4.933e-03 3.133e-03 1.513e-03 1.916889e-01 8.081462e-04 2.572041e-03 -6.000000e+00 4.219148e-03 233.81 -2.00 3.88 -2.00 316.26 0.00e+00 9.917535e-05 8.066726e-05 3.142542e-05 -6.000000e+00 1.656176e-04 282.77 -2.00 20.00 -2.00 315.94 0.00e+00 1.296 0.000 302.00 328.00 3 4.6657e+00 2.1288e-03 1.7266e-02 -6.0000e+00 1.0711e-02 2.0631e-02 2.3546e-03 1.1187e-02 -6.0000e+00 1.1579e-02 6.3816e-03 1.3596e-03 5.4533e-03 -6.0000e+00 6.7746e-03 -4.1934e-03 6.1762e-04 1.5101e-03 -6.0000e+00 2.7845e-03 1.1040e-03 -2.9984e-04 4.6943e-05 2.0336e-05 -6.0000e+00 2.0785e-04 2.2434e-03 0.0000e+00 12 1 1 12 1 1 100.00 22.56 0.12 0.00224 -0.00001 61 21 1 5 0 461.430 25.58 19.99 22.56 29.23 29.9 1003.54 -1554 -2123 -2742 -1551 -921 -110 -635 1263 1070 -133 291 923 596 -31 67 -907 -254 5 582 203 502 828 868 780 325 86 -693 72 294 1189 1115 1563 500 -313 -844 -708 -348 -90 21 -866 -543 -995 -1050 -767 -859 -551 -903 -709 -363 53 811 389 883 1000 931 494 635 376 531 613 1208 1189 1059 776 -77 143 -90 269 500 377 197 -175 -38 -163 -205 19 70 15 269 -483 -474 -1063 -1580 -1038 -966 -683 -518 -188 -226 -7 6 197 515 877 642 633 992 447 -232 -382 -215 -416 -18 311 -635 -613 -471 -167 21 108 -33 83 102 -206 106 396 282 229 254 -120 -378 -121 -262 -82 440 171 619 1134 652 434 230 86 169 305 -79 -204 134 22 -273 -151 -270 -418 -300 -301 -444 -586 -311 -168 -19 -113 243 226 -30 65 207 144 -8 20 -292 -85 2 203 73 183 302 320 298 130 36 -287 28 109 422 403 592 201 -130 -340 -279 -144 -42 11 -533 -362 -693 -750 -552 -618 -394 -637 -485 -242 35 544 275 648 761 727 393 512 304 426 489 976 1006 948 726 -73 129 -76 218 414 338 190 -177 -39 -164 -198 17 57 11 210 -405 -433 -1050 -1655 -1129 -1098 -817 -647 -241 -292 -9 7 223 543 880 653 680 1142 554 -303 -504 -275 -504 -20 361 -778 -789 -627 -229 30 157 -51 126 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