File name: Pandora21s1_Bremen_20220411_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T103435.1Z 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_20220411_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: 20220411 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 20220411T063543.2Z 8136.274805 242 1 10.51 2 72.89 99.05 105.60 350.06 0.00 1 0.00 1 0 25 1.912e-01 9.842e-03 1.578e-01 6.798e-03 5.069030e-01 3.577125e-03 6.517142e-03 -6.000000e+00 1.139758e-01 227.27 -2.00 3.88 -2.00 319.75 0.00e+00 1.403208e-03 9.607303e-04 3.039188e-04 -6.000000e+00 4.582346e-03 271.67 -2.00 20.00 -2.00 319.47 0.00e+00 3.350 0.001 302.00 328.00 3 4.2780e+00 9.9303e-03 4.4338e-02 -6.0000e+00 2.8482e-01 3.7025e-02 1.1628e-02 2.9051e-02 -6.0000e+00 3.0937e-01 -2.4470e-02 1.0538e-02 1.5020e-02 -6.0000e+00 1.8195e-01 4.7888e-03 5.6381e-03 4.5867e-03 -6.0000e+00 7.5775e-02 1.4129e-04 -3.1213e-04 2.0835e-04 5.6016e-05 -6.0000e+00 5.7371e-03 -1.7871e-02 1.4120e-04 12 9 9 12 1 1 -5260.52 22.14 0.29 -0.01787 -0.02022 4 5 1 5 0 2066.642 25.17 20.00 22.14 12.12 28.4 1022.15 -75352 -60856 -29600 -55863 -7874 -65235 50592 -114874 36018 90900 26132 7699 15196 -17465 -21494 14878 -30641 24927 4385 9988 -22166 -9341 -1573 -22034 17809 -9238 -7048 9605 15000 2591 20877 5048 -14205 8635 -17190 2882 320 -1695 -744 702 -932 525 2431 -3591 2151 -622 4422 -1508 -607 -344 3828 3691 1638 697 1227 2961 -435 3565 3654 441 2201 3716 2450 905 1220 -94 2576 -1222 1397 134 92 -678 -1261 -588 -936 723 882 1407 -2146 -179 -2195 18 -570 -1691 -1249 -2268 -1398 -711 472 229 913 1084 -342 1559 475 -299 906 806 -553 -2 466 -417 238 965 -1613 -278 189 -1140 818 -219 49 -919 -34 -327 95 1262 -163 106 -818 268 -837 116 -325 227 -40 1292 213 584 650 274 725 240 733 -41 667 -70 -281 261 -533 -273 -400 -609 5 -1602 -1303 -511 -1211 -105 -1422 409 -4618 414 686 374 141 305 -568 -870 501 -1737 923 209 477 -1471 -559 -90 -1634 983 -690 -526 604 881 176 1321 423 -1597 839 -2112 292 35 -221 -115 126 -190 114 542 -870 501 -151 1037 -377 -155 -91 1045 1101 539 248 456 1126 -175 1393 1408 173 867 1540 1124 457 643 -49 1290 -632 748 80 60 -468 -881 -397 -598 420 476 737 -1217 -111 -1566 14 -480 -1515 -1171 -2258 -1445 -752 498 237 901 1009 -306 1361 439 -304 1008 983 -726 -3 602 -509 272 1083 -1916 -343 242 -1532 1141 -328 77 -1522 -57 -531 148 1870 -240 158 -1281 432 -1380 189 -517 352 -61 1872 302 826 963 437 1221 423 1326 -77 1294 -141 -582 548 -1127 -570 -813 -1199 10 SS 20220411T064109.2Z 8136.278579 245 1 49.77 2 72.09 100.18 105.74 351.31 0.00 1 0.00 1 0 25 9.687e-02 5.551e-03 8.682e-02 3.478e-03 4.940890e-01 1.847081e-03 6.346741e-03 -6.000000e+00 5.770040e-02 227.27 -2.00 3.88 -2.00 320.11 0.00e+00 5.395080e-04 5.369885e-04 3.276777e-04 -6.000000e+00 2.320328e-03 271.67 -2.00 20.00 -2.00 319.81 0.00e+00 3.208 0.001 302.00 328.00 3 4.1342e+00 5.1986e-03 4.2901e-02 -6.0000e+00 1.4419e-01 3.9683e-02 6.2082e-03 2.8541e-02 -6.0000e+00 1.5665e-01 -4.9745e-03 5.9616e-03 1.4971e-02 -6.0000e+00 9.2124e-02 -7.2857e-03 3.1658e-03 4.6564e-03 -6.0000e+00 3.8350e-02 1.8833e-04 -7.9270e-04 1.1015e-04 5.8566e-05 -6.0000e+00 2.9064e-03 -1.7300e-02 3.4922e-05 10 0 0 10 0 0 98.59 22.14 0.18 -0.01730 -0.02326 42 8 1 5 0 1184.683 25.17 20.00 22.14 12.38 28.4 1023.88 -29690 25560 -62268 42301 -21038 -7484 -37763 23404 13467 -19976 -26007 -11729 17271 -15970 4264 -2306 3517 6349 9307 -4792 -7077 8534 -5087 -6965 -8593 896 4023 18308 -1848 -4386 -1729 -5823 -1861 -6704 4005 -9521 -2621 550 -710 -2045 -3236 -453 -4127 -1290 -1106 1678 -2287 -1090 1189 2449 1166 -979 2058 -502 1525 1317 743 -338 484 2036 1301 2318 1628 1700 718 -364 -648 1896 894 300 -257 158 -187 -292 1420 -601 733 307 187 -758 -236 -1093 -1524 -1060 -1022 -160 -477 -113 -47 -32 573 1454 1051 1103 707 295 732 468 -206 180 -210 -755 -80 379 -1073 -594 -762 -654 -295 22 -47 -244 -148 193 133 364 341 194 -115 -626 -662 -102 -305 -201 459 842 509 1268 330 502 182 -5 364 278 40 -253 379 60 -265 -460 -196 -150 -69 -380 231 -1276 348 -284 -88 -609 248 174 -371 -535 -231 305 -451 120 -79 126 240 365 -225 -351 372 -260 -388 -524 53 235 921 -109 -272 -115 -459 -158 -637 342 -917 -253 60 -94 -323 -583 -86 -847 -265 -229 343 -491 -234 255 541 280 -263 583 -157 492 444 259 -120 168 688 452 852 663 756 338 -170 -294 839 425 160 -152 98 -118 -178 798 -315 349 143 91 -422 -149 -781 -1191 -877 -895 -148 -464 -114 -47 -31 533 1255 860 889 603 279 775 552 -264 234 -266 -890 -87 405 -1217 -709 -954 -859 -409 33 -76 -410 -250 315 207 539 496 288 -180 -1023 -1104 -168 -488 -313 685 1207 707 1745 484 797 312 -9 677 538 82 -539 828 133 -596 -1021 -420 -307 -137 SS 20220411T065149.3Z 8136.285987 248 1 49.62 2 70.51 102.41 105.96 353.79 0.00 1 0.00 1 0 25 5.026e-02 5.136e-03 2.340e-02 1.499e-03 4.568977e-01 7.846122e-04 5.905422e-03 -6.000000e+00 2.993906e-02 227.27 -2.00 3.88 -2.00 319.65 0.00e+00 5.425038e-04 2.009806e-04 2.532287e-04 -6.000000e+00 1.203941e-03 271.67 -2.00 20.00 -2.00 319.35 0.00e+00 2.964 0.001 302.00 328.00 3 3.1440e+00 2.1697e-03 3.9543e-02 -6.0000e+00 7.4815e-02 3.0724e-02 2.5248e-03 2.6140e-02 -6.0000e+00 8.1279e-02 -1.0598e-02 2.2164e-03 1.3521e-02 -6.0000e+00 4.7800e-02 -4.2427e-03 1.1905e-03 4.1268e-03 -6.0000e+00 1.9899e-02 6.7473e-04 -7.0278e-04 4.7039e-05 4.9323e-05 -6.0000e+00 1.5080e-03 -1.7330e-02 3.7873e-05 10 0 0 10 0 0 96.57 22.15 0.27 -0.01733 -0.02261 99 19 1 5 0 501.067 25.17 20.00 22.15 12.99 28.3 1026.14 -18233 -17245 -22021 -15684 -20044 -15287 -21267 -6849 -11429 -6125 -12469 -11690 -3406 -15362 -1873 -5683 -668 -5284 -5535 -226 235 1227 -583 -3103 -4885 -1436 -4829 -1390 -692 1430 -36 2017 929 -1046 -3260 -1474 -772 -1273 -1457 -1883 -1330 -1757 -569 -635 -883 377 64 724 159 1529 822 991 243 849 1308 356 940 281 906 549 1207 906 1234 590 242 658 287 915 607 464 173 429 -132 54 294 316 263 408 155 -325 -68 -1369 -1407 -1384 -1027 -992 -565 -391 -133 98 662 831 1076 1348 1225 714 826 120 -160 -444 -200 -596 159 495 -755 -830 -782 -343 -154 -83 -200 -176 -214 55 197 551 657 357 65 -666 -526 -276 -291 -211 152 476 697 1042 780 455 280 71 182 434 -59 -128 -19 16 -348 -268 -280 -241 77 -311 -334 -475 -311 -388 -274 -427 -134 -265 -146 -331 -333 -104 -591 -75 -275 -34 -304 -340 -14 15 78 -39 -226 -391 -117 -413 -112 -54 110 -3 192 100 -122 -385 -169 -94 -182 -251 -386 -306 -437 -146 -167 -236 100 17 193 43 426 247 325 87 324 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