File name: Pandora21s1_Bremen_20230307_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T210239.0Z 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_20230307_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: 20230307 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 20230307T073203.7Z 8466.313932 280 1 10.40 2 77.53 116.94 99.84 300.00 0.00 1 0.00 1 0 25 6.157e-01 1.062e-02 3.147e-01 6.357e-03 8.182183e-01 3.513330e-03 1.011177e-02 -6.000000e+00 3.653206e-01 224.58 -2.00 3.88 -2.00 321.09 0.00e+00 3.913068e-03 1.337918e-03 9.033184e-04 -6.000000e+00 1.554092e-02 267.60 -2.00 20.00 -2.00 320.81 0.00e+00 4.503 0.002 302.00 328.00 3 2.5976e+00 1.0430e-02 6.5306e-02 -6.0000e+00 9.0916e-01 1.8863e-01 1.5202e-02 4.8546e-02 -6.0000e+00 9.8942e-01 -1.5305e-01 1.8503e-02 2.7967e-02 -6.0000e+00 5.8162e-01 5.0428e-02 9.1822e-03 9.5292e-03 -6.0000e+00 2.4635e-01 1.7146e-04 -1.4653e-03 1.7574e-04 1.1997e-04 -6.0000e+00 1.8779e-02 -1.2962e-02 0.0000e+00 12 9 9 12 1 1 99.22 22.17 0.29 -0.01296 -0.02397 10 11 1 5 0 929.403 25.28 20.00 22.17 10.09 31.1 996.38 -231005 900000 -206158 900000 -256498 -170240 -281283 -232489 900000 -159639 -108519 -231677 900000 -34394 -8381 -41033 168338 -54860 -30879 -6481 -31301 19832 19283 64580 14537 166723 1777 -57344 4223 -38650 93865 17044 7658 24162 -21190 -7405 5295 -513 9057 10020 -2622 -10955 -6944 8385 4843 8207 4046 17021 3840 -180 10964 2174 16035 388 6318 -1305 3844 642 -2038 848 2515 1651 4214 1485 2437 4663 48 5434 1219 1242 2122 2012 -564 -1174 2865 912 -539 -72 59 152 -660 711 -1085 -883 -1117 -1121 -2604 -327 443 -302 1722 1001 295 475 1049 -1043 931 385 -635 -68 -895 -743 425 407 -1734 -374 -1473 -395 -1287 -683 119 -134 250 186 -75 576 1070 580 -448 -559 -461 199 695 101 -69 1070 448 1065 636 381 189 242 -366 376 205 -132 -165 -118 -400 -149 4 -269 -19 -1886 900000 -1824 900000 -3556 -1055 -5079 -3017 900000 -1318 -672 -4680 900000 -213 -52 -393 1043 -798 -398 -71 -450 182 185 440 171 1033 26 -1433 62 -904 784 351 203 611 -819 -252 171 -20 389 508 -171 -844 -549 601 367 621 330 1296 353 -19 1138 275 1990 61 1011 -236 687 119 -380 151 445 316 889 365 650 1261 14 1522 385 441 828 833 -240 -483 1052 311 -173 -23 21 62 -316 385 -662 -577 -770 -814 -1999 -253 343 -230 1234 684 196 321 766 -879 882 414 -752 -83 -1078 -832 433 394 -1745 -390 -1616 -452 -1596 -924 175 -213 409 304 -120 888 1623 896 -721 -927 -766 321 1073 153 -101 1515 623 1484 953 633 343 470 -749 799 456 -307 -394 -283 -962 -352 8 -584 -39 SS 20230307T102318.7Z 8466.432856 379 1 50.28 2 60.35 159.11 116.45 339.48 0.00 1 0.00 1 0 25 3.069e-02 5.599e-03 3.582e-02 3.935e-03 3.844091e-01 2.038195e-03 5.121154e-03 -6.000000e+00 1.814378e-02 224.59 -2.00 3.88 -2.00 318.92 0.00e+00 -9.417544e-05 4.265428e-04 1.621626e-04 -6.000000e+00 7.358684e-04 267.61 -2.00 20.00 -2.00 318.63 0.00e+00 2.013 0.000 302.00 328.00 3 5.5811e+00 5.4865e-03 2.9707e-02 -6.0000e+00 4.5066e-02 6.1489e-02 6.2337e-03 2.1695e-02 -6.0000e+00 4.9009e-02 1.7467e-03 4.7292e-03 1.1133e-02 -6.0000e+00 2.8879e-02 -8.5950e-03 2.5442e-03 3.3522e-03 -6.0000e+00 1.2128e-02 1.5658e-04 -4.0444e-04 1.2365e-04 4.1520e-05 -6.0000e+00 9.1986e-04 -1.4079e-02 0.0000e+00 10 0 0 10 0 0 99.94 22.21 0.39 -0.01408 -0.01712 16 3 1 5 0 3142.179 25.28 19.99 22.21 11.73 31.2 1002.92 -1508 -17042 4529 -8463 2163 12377 -5193 -13662 1027 7230 -749 -4561 11591 -10820 -2422 3604 -2682 1475 -2811 1686 1673 -1346 -1125 -3265 1855 656 3307 -3734 2566 2954 -1957 -1880 1085 1496 -3578 -2743 736 1196 -2337 1559 277 -163 -350 -2025 -197 -2790 675 -1881 43 502 -1384 875 1211 1193 0 482 600 145 -292 968 2579 824 944 1652 57 324 601 -770 1117 308 108 -505 -287 -360 158 626 -789 82 236 -259 -70 -1389 -1098 -407 -1220 -1081 -13 272 187 255 494 491 207 1074 -96 548 929 595 82 -122 66 -244 -571 269 -947 -1045 -1027 -166 22 -175 358 444 111 58 -239 397 -291 313 -58 -431 -836 -376 -144 -105 189 62 1463 769 565 475 548 -134 555 -98 -212 -62 -5 431 -340 -81 -115 -253 -334 -46 -672 154 -317 68 342 -176 -560 41 293 -34 -225 553 -748 -180 287 -247 139 -291 174 178 -149 -127 -400 231 87 434 -509 316 359 -265 -282 174 253 -627 -468 128 238 -573 432 87 -55 -123 -741 -71 -1037 242 -687 15 183 -540 360 534 558 0 245 313 76 -152 492 1308 449 557 1043 38 209 368 -467 693 212 81 -406 -233 -285 118 427 -498 49 144 -174 -53 -1177 -1004 -391 -1243 -1165 -14 315 219 292 538 498 197 977 -91 560 1046 740 110 -167 88 -303 -666 306 -1135 -1325 -1359 -227 31 -267 577 741 185 94 -367 572 -410 446 -87 -676 -1352 -605 -227 -160 277 87 1963 1021 781 703 862 -221 934 -171 -385 -117 -10 857 -685 -160 -223 -473 -605 SS 20230307T110347.6Z 8466.460968 400 1 49.42 2 58.76 170.66 118.13 350.17 0.00 1 0.00 1 0 25 1.721e-02 5.187e-03 5.474e-03 8.046e-04 3.658361e-01 4.151665e-04 4.886004e-03 -6.000000e+00 1.017268e-02 224.59 -2.00 3.88 -2.00 318.50 0.00e+00 3.507770e-04 7.727008e-05 1.348428e-04 -6.000000e+00 4.125820e-04 267.61 -2.00 20.00 -2.00 318.21 0.00e+00 1.921 0.000 302.00 328.00 3 3.1062e+00 1.1071e-03 2.8251e-02 -6.0000e+00 2.5267e-02 2.1147e-02 1.2501e-03 2.0561e-02 -6.0000e+00 2.7478e-02 -1.4758e-03 8.9016e-04 1.0486e-02 -6.0000e+00 1.6192e-02 -4.2292e-03 4.7497e-04 3.1218e-03 -6.0000e+00 6.7994e-03 2.1347e-03 -4.9586e-04 2.5036e-05 3.8024e-05 -6.0000e+00 5.1575e-04 -1.3889e-02 0.0000e+00 10 0 0 10 0 0 98.16 22.20 0.19 -0.01389 -0.01762 196 38 1 5 0 251.998 25.28 20.00 22.20 11.33 31.0 999.03 -8211 -5336 -5422 -6114 -7381 -6790 -4215 -2649 -3623 -3764 -2224 -2311 -3072 -1847 -1712 -1375 -1372 -1239 -13 -1258 -535 -289 105 -728 -685 -845 -408 -1234 -385 817 1025 785 279 -571 -1858 -916 -882 -439 -487 -885 -1331 -635 -848 -817 -314 -359 -328 -127 101 883 869 848 816 867 887 1037 760 497 852 1068 1380 1259 1362 611 76 385 431 633 953 515 -60 -293 -363 -347 -432 123 427 504 622 -61 -287 -970 -1535 -1284 -1036 -848 -641 -435 -169 -213 263 398 710 1195 1103 721 755 484 -356 -473 -313 -510 188 222 -510 -823 -645 -467 -56 -13 -57 -209 -204 60 272 525 671 443 205 -379 -585 -225 -275 -55 296 254 776 1159 900 556 425 94 151 249 79 -173 -72 32 -423 -301 -236 -291 -117 -341 -243 -259 -287 -348 -304 -191 -131 -203 -227 -136 -149 -209 -146 -158 -143 -155 -148 -2 -165 -72 -39 14 -106 -107 -138 -67 -198 -59 121 161 137 54 -117 -379 -181 -184 -104 -139 -298 -506 -257 -358 -351 -135 -155 -141 -54 43 376 389 409 395 446 478 576 432 285 479 591 773 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