File name: Pandora21s1_Bremen_20230428_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T215155.1Z 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_20230428_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: 20230428 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 20230428T062202.2Z 8518.265304 216 1 9.48 2 69.84 93.27 105.45 4.23 0.00 1 0.00 1 0 25 5.149e-02 6.090e-03 3.274e-02 2.899e-03 4.433955e-01 1.524952e-03 5.801894e-03 -6.000000e+00 3.094779e-02 229.10 -2.00 3.88 -2.00 319.04 0.00e+00 6.713249e-04 3.301153e-04 2.032448e-04 -6.000000e+00 1.234371e-03 273.87 -2.00 20.00 -2.00 318.75 0.00e+00 2.872 0.000 302.00 328.00 3 3.2156e+00 4.1503e-03 3.8566e-02 -6.0000e+00 7.7670e-02 1.4474e-02 4.7154e-03 2.5541e-02 -6.0000e+00 8.4203e-02 -9.0809e-03 3.7117e-03 1.2948e-02 -6.0000e+00 4.9451e-02 -2.9698e-03 1.9981e-03 3.8339e-03 -6.0000e+00 2.0570e-02 6.9896e-04 -7.5780e-04 8.9062e-05 4.5781e-05 -6.0000e+00 1.5450e-03 -1.2491e-02 0.0000e+00 12 1 1 12 1 1 98.43 22.20 0.23 -0.01249 -0.01819 16 18 1 5 0 546.800 25.28 20.00 22.20 14.44 31.8 1019.32 -18707 -2227 -17340 -6721 -17946 -12150 3159 -19312 9898 -18650 6795 -28614 10538 -10793 -10357 -3498 -5102 1001 -581 8522 -5452 5260 -4419 5890 -2893 1486 86 -1871 902 -3127 4298 321 4520 -4913 -1404 -4038 -1253 2620 -829 -419 -2119 1698 -826 -1303 -817 290 -1974 -1010 348 524 2958 307 1038 -650 832 142 587 696 201 1356 616 2293 739 1502 -4 539 121 829 1442 1125 287 -732 -222 -594 393 -220 69 161 105 510 -717 -562 -1523 -977 -1782 -344 -698 -519 -423 -285 431 945 873 1173 1224 642 1202 -116 79 -481 52 -393 -158 147 -727 -841 -778 -200 40 -95 -250 -187 -231 133 242 482 773 361 37 -693 -732 -90 -146 131 -51 447 575 1355 521 468 217 -7 297 157 292 -160 -105 -18 -337 -422 -46 -340 23 -465 -54 -521 -179 -499 -324 76 -618 281 -724 214 -1380 397 -575 -657 -240 -393 78 -49 694 -528 464 -442 565 -326 170 10 -219 99 -361 500 42 633 -807 -221 -642 -206 479 -189 -108 -627 522 -273 -444 -280 99 -693 -352 121 188 1101 122 446 -305 405 69 294 350 100 688 307 1196 430 910 -3 339 76 510 890 778 214 -586 -180 -468 287 -153 44 101 68 355 -557 -474 -1425 -936 -1829 -358 -775 -578 -476 -324 461 965 830 1117 1172 683 1388 -142 106 -647 69 -486 -186 174 -881 -1053 -1025 -267 57 -142 -392 -299 -373 213 373 699 1119 518 56 -1087 -1184 -143 -227 203 -76 651 801 1906 752 716 350 -12 514 275 538 -304 -203 -36 -673 -834 -87 -634 43 SS 20230428T071831.2Z 8518.304527 247 1 2.55 2 61.47 105.19 104.06 17.20 0.00 1 0.00 1 0 25 3.308e-02 9.267e-03 2.789e-02 7.639e-03 3.259256e-01 4.018844e-03 4.311173e-03 -6.000000e+00 1.988472e-02 229.10 -2.00 3.88 -2.00 317.36 0.00e+00 9.968607e-05 5.385628e-04 8.496312e-05 -6.000000e+00 7.930771e-04 273.88 -2.00 20.00 -2.00 317.06 0.00e+00 2.084 0.000 302.00 328.00 3 4.2611e+00 1.0612e-02 2.8025e-02 -6.0000e+00 4.9905e-02 1.5937e-02 1.1811e-02 1.8508e-02 -6.0000e+00 5.4102e-02 6.9963e-04 7.3053e-03 9.1890e-03 -6.0000e+00 3.1773e-02 -4.0096e-03 3.6519e-03 2.6288e-03 -6.0000e+00 1.3217e-02 6.1320e-04 -1.9613e-04 2.3421e-04 3.2287e-05 -6.0000e+00 9.9262e-04 -1.3024e-02 0.0000e+00 12 9 1 12 1 1 999.00 22.23 0.10 -0.01302 -0.01450 1 8 1 5 0 1183.994 25.28 20.00 22.23 16.60 32.1 1028.53 -7005 3117 -13107 9129 -14279 973 -8108 6029 -4133 13212 -7719 -7426 14984 -8050 7416 -5389 1727 -709 -882 -1152 -2465 3440 1073 4115 -741 -991 -995 -4159 290 2612 2649 167 3409 221 -512 -951 1869 -1271 1836 582 -737 -1476 -743 -1050 -719 595 -630 -823 -346 -659 863 1355 1640 -425 627 -501 1250 32 852 241 2711 1006 1448 1215 -936 -215 -1057 1110 441 1349 276 1068 -2381 -336 858 237 -1268 449 1024 -436 235 -2925 -2046 -1605 -1396 -722 -104 753 280 -678 484 556 1254 1461 2659 -187 615 -430 140 -1111 595 -621 718 140 190 -1025 -1370 -260 3 73 -388 -613 -1012 23 428 508 793 -269 661 -625 -12 -687 327 189 679 389 368 617 436 817 411 415 -334 970 1012 -380 4 -198 -95 -717 343 -596 -948 -618 278 -1410 783 -1407 80 -753 544 -452 1318 -952 -949 1729 -1301 1192 -1071 344 -151 -197 -266 -591 791 256 1003 -198 -277 -280 -1168 75 657 695 48 1030 71 -164 -300 604 -471 763 276 -384 -812 -418 -601 -412 339 -360 -466 -195 -375 501 826 1048 -287 433 -357 893 23 608 171 1921 750 1138 1004 -800 -179 -849 859 352 1146 252 1008 -2318 -318 777 203 -1031 347 798 -366 212 -2889 -2118 -1720 -1550 -831 -124 913 343 -826 565 619 1323 1496 2748 -208 724 -543 184 -1495 775 -780 860 167 234 -1321 -1822 -353 4 106 -586 -946 -1561 34 612 699 1071 -369 932 -919 -18 -1035 483 274 959 535 493 816 590 1152 604 625 -514 1510 1620 -632 6 -342 -165 -1241 581 -992 -1551 SS 20230428T072308.1Z 8518.307732 250 1 2.30 2 60.80 106.21 103.87 18.24 0.00 1 0.00 1 0 25 1.655e-02 6.537e-03 1.043e-02 3.304e-03 3.202579e-01 1.740808e-03 4.287921e-03 -6.000000e+00 9.947795e-03 229.10 -2.00 3.88 -2.00 317.11 0.00e+00 2.760594e-04 2.187090e-04 7.490573e-05 -6.000000e+00 3.967583e-04 273.88 -2.00 20.00 -2.00 316.81 0.00e+00 2.041 0.000 302.00 328.00 3 3.0876e+00 4.5808e-03 2.7539e-02 -6.0000e+00 2.4966e-02 1.9234e-02 5.0936e-03 1.8270e-02 -6.0000e+00 2.7066e-02 -1.0715e-02 3.0865e-03 9.0645e-03 -6.0000e+00 1.5895e-02 1.5425e-03 1.5163e-03 2.5842e-03 -6.0000e+00 6.6122e-03 2.0876e-03 -4.7792e-04 1.0108e-04 3.2715e-05 -6.0000e+00 4.9659e-04 -1.2862e-02 0.0000e+00 12 9 1 12 1 1 9.11 22.23 0.23 -0.01286 -0.01645 5 28 1 5 0 352.982 25.28 20.00 22.23 16.55 32.1 1028.79 -6215 2491 -11572 -540 -3383 2797 -2147 -1475 2238 1951 2821 -4843 3254 -3057 800 -3464 1256 2500 -366 3184 622 596 -821 2418 -2057 -59 -665 -423 775 -540 1388 882 1351 -1417 456 -544 -433 -349 -39 -75 -2018 171 -1875 8 -1971 438 -1866 -407 190 787 563 289 963 137 1628 228 1084 306 413 1018 1396 1366 602 1343 -266 593 -413 774 762 688 -134 -436 72 -688 -33 -176 742 30 428 -64 -808 -906 -1443 -1306 -1180 -481 -975 110 -342 -100 278 87 738 1455 1317 88 949 131 -593 -769 -471 -761 -217 730 -482 -354 -763 -139 -469 422 -69 -190 -216 23 601 538 843 473 507 -448 -475 -539 -278 -46 27 400 757 1160 502 847 63 89 342 320 73 -205 156 34 -404 -387 -121 -570 -264 -652 268 -1462 -60 -361 270 -224 -168 272 252 370 -704 483 -544 156 -771 286 588 -92 801 164 158 -223 667 -618 -18 -206 -128 223 -154 406 278 455 -506 158 -186 -155 -139 -18 -38 -1122 98 -1119 5 -1197 262 -1131 -241 112 465 343 185 642 96 1155 167 799 227 305 743 1029 1045 488 1133 -231 501 -337 615 620 596 -124 -420 70 -661 -30 -154 608 24 341 -55 -744 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