File name: Pandora21s1_Bremen_20230804_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T232655.5Z 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_20230804_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: 20230804 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 20230804T071434.7Z 8616.301791 271 1 50.66 2 60.79 100.24 91.52 257.41 0.00 1 0.00 1 0 17 2.592e-02 6.267e-03 2.455e-02 4.420e-03 3.014706e-01 2.345616e-03 3.991500e-03 -6.000000e+00 1.580913e-02 233.12 -2.00 3.88 -2.00 318.50 0.00e+00 5.776235e-04 4.121080e-04 1.014154e-04 -6.000000e+00 6.213357e-04 282.77 -2.00 20.00 -2.00 318.18 0.00e+00 2.039 0.000 302.00 328.00 3 5.5440e+00 6.3480e-03 2.7179e-02 -6.0000e+00 4.0066e-02 2.6694e-02 7.0920e-03 1.7675e-02 -6.0000e+00 4.3306e-02 1.6646e-02 4.7871e-03 8.7369e-03 -6.0000e+00 2.5352e-02 -9.6009e-03 2.4791e-03 2.4962e-03 -6.0000e+00 1.0460e-02 1.8154e-04 -3.2520e-04 1.4109e-04 3.0549e-05 -6.0000e+00 7.7856e-04 -1.2454e-02 0.0000e+00 10 0 0 10 0 0 99.94 22.30 0.24 -0.01245 -0.01490 45 9 1 5 0 1125.595 25.39 20.00 22.30 23.77 34.0 999.14 -7502 -2011 6149 -9540 -14771 -3187 -4202 3134 1229 42 -5661 -1068 518 2688 4100 -3803 2229 -4129 6291 -3475 7705 -3349 -1184 1581 -1936 1575 1815 482 1558 3749 4154 8996 -888 -2889 -2762 -2307 2868 -3384 1081 -4569 -841 -101 -114 -1498 -761 -1535 -1361 677 -1855 1215 -52 790 885 -102 1409 176 985 -287 1562 673 1515 -694 2027 875 113 1552 -135 517 1228 1387 -1208 1475 -296 333 -97 -551 -176 -475 -14 -765 -1016 -1226 -2160 -1473 -294 -323 -39 -79 -273 100 242 763 331 97 499 1002 261 729 275 106 35 -1049 -65 108 -571 -938 -672 -173 160 54 242 127 435 -183 -371 285 95 -13 -464 -417 -343 185 62 -308 593 190 -74 1004 204 782 208 324 247 290 -250 -112 -60 448 -240 -202 -122 -559 -36 -431 -122 359 -625 -943 -175 -242 186 82 3 -436 -82 43 250 431 -478 283 -585 846 -533 1094 -532 -188 256 -343 281 326 85 259 600 692 1555 -183 -633 -593 -483 603 -863 313 -1626 -321 -41 -48 -649 -329 -670 -590 283 -788 505 -23 367 437 -54 761 99 560 -166 880 380 863 -427 1311 611 81 1066 -88 325 795 986 -966 1218 -252 277 -76 -402 -117 -298 -9 -531 -791 -1057 -2028 -1452 -303 -354 -45 -95 -332 119 273 797 321 90 471 1015 294 898 364 144 46 -1298 -75 123 -689 -1205 -901 -241 232 83 392 212 719 -291 -554 398 130 -18 -678 -643 -547 295 97 -471 865 266 -99 1313 278 1126 318 514 403 485 -439 -205 -115 867 -471 -395 -232 -1033 -64 SS 20230804T081002.5Z 8616.340306 302 1 48.93 2 52.82 112.91 99.27 268.21 0.00 1 0.00 1 0 25 9.780e-03 5.676e-03 7.047e-03 2.234e-03 2.510151e-01 1.187806e-03 3.356718e-03 -6.000000e+00 5.966144e-03 233.12 -2.00 3.88 -2.00 317.30 0.00e+00 1.400157e-04 1.521926e-04 5.815471e-05 -6.000000e+00 2.344763e-04 282.77 -2.00 20.00 -2.00 316.98 0.00e+00 1.651 0.000 302.00 328.00 3 5.3627e+00 3.1570e-03 2.2253e-02 -6.0000e+00 1.5120e-02 4.4835e-02 3.5021e-03 1.4650e-02 -6.0000e+00 1.6343e-02 -9.4346e-04 2.1209e-03 7.1845e-03 -6.0000e+00 9.5673e-03 -2.7566e-03 1.0318e-03 2.0149e-03 -6.0000e+00 3.9476e-03 3.4494e-04 -3.3745e-04 6.9939e-05 2.5438e-05 -6.0000e+00 2.9379e-04 -1.3113e-02 0.0000e+00 10 0 0 10 0 0 99.63 22.31 0.29 -0.01311 -0.01565 18 4 1 5 0 2717.707 25.39 20.00 22.31 25.82 34.1 1009.74 -579 174 416 -4124 -224 -1251 1864 7 -2283 -2873 -2083 1653 -3333 -339 -1041 1226 -1080 1164 -143 -191 490 -1081 1532 225 1954 -780 -485 -711 -440 -686 583 620 1850 -302 -2505 -150 -1392 -869 -131 677 -328 -982 -644 -1227 -631 -832 -119 -1447 -587 493 1161 671 739 567 472 1555 863 -134 453 1269 1643 1751 1497 594 429 37 60 -110 1518 424 80 -226 -108 -348 105 98 -773 166 268 -266 -1127 -1392 -2074 -1228 -679 -897 -246 -233 162 -60 120 20 404 553 934 565 895 727 -9 -321 -162 -556 -274 -39 -1200 -703 -564 -306 53 338 180 86 211 47 204 166 19 144 72 -193 -716 -39 94 256 103 392 763 987 404 457 499 96 261 177 255 -229 13 218 -449 -166 -356 -224 -493 -62 20 50 -497 -24 -128 190 1 -295 -396 -289 226 -519 -58 -202 256 -243 267 -34 -47 124 -279 391 61 545 -231 -144 -204 -119 -180 156 177 558 -96 -796 -45 -448 -315 -55 326 -176 -558 -376 -730 -374 -493 -70 -834 -330 274 661 405 470 378 325 1085 616 -96 322 890 1167 1303 1190 501 369 31 47 -83 1152 353 73 -216 -105 -331 95 82 -602 121 195 -209 -981 -1323 -2114 -1301 -750 -1049 -300 -293 206 -75 143 23 421 547 933 602 1030 906 -11 -433 -212 -690 -323 -46 -1479 -909 -758 -425 76 505 279 137 332 71 291 224 25 192 100 -283 -1089 -59 141 374 145 532 996 1259 529 628 718 143 393 273 406 -382 22 379 -792 -291 -613 -376 -811 SS 20230804T081455.0Z 8616.343692 305 1 49.96 2 52.15 114.11 99.96 269.16 0.00 1 0.00 1 0 25 7.792e-03 4.912e-03 3.318e-03 1.111e-03 2.404083e-01 5.908455e-04 3.214504e-03 -6.000000e+00 4.753145e-03 233.12 -2.00 3.88 -2.00 317.19 0.00e+00 1.713401e-04 7.367814e-05 5.391899e-05 -6.000000e+00 1.868052e-04 282.77 -2.00 20.00 -2.00 316.87 0.00e+00 1.626 0.000 302.00 328.00 3 4.1534e+00 1.5688e-03 2.1629e-02 -6.0000e+00 1.2046e-02 1.4347e-02 1.7392e-03 1.4025e-02 -6.0000e+00 1.3020e-02 6.3945e-03 1.0455e-03 6.8718e-03 -6.0000e+00 7.6222e-03 -4.5313e-03 5.0471e-04 1.9249e-03 -6.0000e+00 3.1450e-03 1.2216e-03 -3.7769e-04 3.4789e-05 2.4393e-05 -6.0000e+00 2.3406e-04 -1.3013e-02 0.0000e+00 10 0 0 10 0 0 99.91 22.31 0.18 -0.01301 -0.01585 90 18 1 5 0 555.018 25.39 20.00 22.31 26.06 34.0 1010.19 27 -3316 -1704 -2605 -632 -2029 -954 704 74 -24 -2439 170 -1600 70 -930 -895 -151 348 -86 -201 562 233 1309 267 836 -305 -204 -999 262 1292 512 1520 523 -321 -1291 -18 -1153 -86 -20 -750 -768 -874 -423 -947 -351 -902 -179 -700 -327 540 540 780 649 902 586 1099 442 631 648 993 1359 1215 1272 363 337 -233 71 273 790 503 2 -76 -532 -67 -364 169 -343 205 -26 105 -614 -1087 -1550 -1314 -913 -956 -279 -425 57 -235 194 271 521 990 728 738 724 610 -166 -267 -332 -506 -154 235 -489 -578 -473 -310 12 54 76 -138 -3 25 49 436 379 424 80 -266 -440 -117 -165 -69 245 297 708 935 776 393 412 24 187 240 127 -11 -87 156 -443 -178 -238 -383 -323 3 -426 -222 -330 -72 -223 -107 85 10 -3 -360 25 -259 13 -190 -200 -35 84 -22 -52 148 62 349 75 245 -94 -63 -299 73 348 142 446 165 -106 -419 -6 -382 -32 -9 -375 -422 -507 -251 -574 -212 -547 -106 -410 -187 306 315 478 420 608 408 780 320 459 467 709 982 921 1025 311 292 -196 56 207 609 421 2 -73 -518 -64 -333 143 -269 151 -19 83 -537 -1035 -1577 -1395 -1012 -1118 -340 -536 73 -294 233 304 544 983 731 787 834 758 -220 -359 -433 -627 -182 274 -600 -747 -634 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