File name: Pandora21s1_Bremen_20231008_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240905T020748.3Z 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_20231008_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: 20231008 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 20231008T070201.2Z 8681.293069 285 1 49.90 2 78.82 115.79 29.28 186.67 0.00 1 0.00 1 0 25 3.992e-01 1.135e-02 2.579e-01 8.851e-03 5.605621e-01 4.841877e-03 7.083676e-03 -6.000000e+00 2.374974e-01 225.33 -2.00 3.88 -2.00 320.91 0.00e+00 2.293127e-03 1.705228e-03 5.277629e-04 -6.000000e+00 9.795489e-03 276.37 -2.00 20.00 -2.00 320.59 0.00e+00 4.977 0.003 302.00 328.00 3 3.1122e+00 1.4289e-02 5.8955e-02 -6.0000e+00 5.9044e-01 5.8454e-02 1.8253e-02 3.3001e-02 -6.0000e+00 6.4221e-01 -1.5176e-02 1.9584e-02 1.8032e-02 -6.0000e+00 3.7752e-01 1.1520e-03 1.0058e-02 5.9351e-03 -6.0000e+00 1.5894e-01 9.4187e-05 -8.8958e-04 2.8923e-04 7.9044e-05 -6.0000e+00 1.1979e-02 -9.1506e-03 0.0000e+00 12 8 8 10 0 0 99.97 22.52 0.21 -0.00915 -0.01584 111 22 1 5 0 449.462 25.58 20.00 22.52 19.31 34.0 1011.15 -37273 900000 -128599 11874 -167116 900000 -153692 -52288 -89724 260708 -3371 -69854 -37914 -37650 35748 -63261 29510 1134 57010 166412 41071 51259 -22982 25404 -33775 2311 -19273 16134 -38107 5504 89083 3650 18000 18126 24574 9090 24460 -7675 13566 -5382 1579 6441 -479 19379 10401 13933 10400 -7921 -238 3251 -6289 17482 3838 -2205 4591 -4856 3336 195 378 -4079 -1095 1588 2891 2942 -760 5952 -1764 1906 500 1164 -1938 540 184 -1720 -307 -919 1504 919 2939 359 1252 -1537 -1666 -1138 -724 -797 -1937 1214 39 206 -374 782 615 644 601 289 657 -422 -772 87 801 -1176 519 -28 -1490 -1042 -164 617 -1053 -875 -107 635 -206 426 239 558 841 -82 313 -760 -738 -549 358 -922 214 1153 326 2211 287 1406 -27 137 -712 134 237 -220 82 23 -275 -254 635 -966 174 -322 900000 -2570 102 -4390 900000 -3739 -612 -1590 2250 -33 -1315 -644 -773 482 -2213 543 29 979 1436 876 1023 -861 685 -1569 84 -858 537 -1951 205 1878 175 861 929 1200 501 1260 -585 1020 -553 172 725 -60 2120 1252 1658 1302 -1187 -35 480 -1088 2690 726 -474 984 -1184 779 47 90 -1007 -268 407 809 909 -258 1903 -593 623 177 457 -867 251 87 -802 -132 -366 541 325 1081 153 613 -875 -1047 -762 -513 -603 -1564 988 32 168 -291 565 422 438 435 235 607 -445 -895 104 918 -1270 509 -27 -1512 -1119 -184 727 -1353 -1225 -163 1021 -340 683 367 812 1198 -121 481 -1239 -1228 -901 565 -1428 316 1629 448 2983 422 2255 -48 260 -1426 279 521 -513 197 56 -684 -624 1488 -2189 374 SS 20231008T074533.0Z 8681.323298 313 1 13.91 2 73.20 125.34 31.17 205.70 0.00 1 0.00 1 0 25 3.259e-02 5.493e-03 2.824e-02 2.991e-03 3.938651e-01 1.551986e-03 5.215651e-03 -6.000000e+00 1.930857e-02 225.33 -2.00 3.88 -2.00 318.95 0.00e+00 1.941850e-05 3.273139e-04 1.717239e-04 -6.000000e+00 7.811102e-04 276.37 -2.00 20.00 -2.00 318.66 0.00e+00 3.407 0.001 302.00 328.00 3 3.1411e+00 4.1926e-03 4.0433e-02 -6.0000e+00 4.8039e-02 4.2513e-02 4.7582e-03 2.2439e-02 -6.0000e+00 5.2224e-02 -1.0038e-02 3.6410e-03 1.1421e-02 -6.0000e+00 3.0757e-02 -2.7781e-03 1.9591e-03 3.4272e-03 -6.0000e+00 1.2890e-02 4.9548e-04 -6.9821e-04 9.3360e-05 4.1859e-05 -6.0000e+00 9.7684e-04 -1.0654e-02 0.0000e+00 12 1 1 12 1 1 99.69 22.51 0.17 -0.01065 -0.01590 18 13 1 5 0 731.743 25.58 20.00 22.51 20.59 33.9 1018.01 -12466 11322 -6413 10325 -12638 -13388 3347 6506 -2599 -2050 7433 -14883 -5689 -3361 -7972 -5580 1759 -3338 7223 -2195 3396 -484 -82 -1868 -1892 1125 -1183 499 599 2832 -925 -798 2547 -1842 -715 -4074 -867 -117 -796 -2639 -733 -1398 -1534 56 -1500 141 -1741 515 -1195 661 831 1257 446 2196 147 769 709 1279 945 709 1532 1629 1419 682 -375 646 498 110 1723 212 -388 259 -372 -309 -411 559 93 818 -40 -34 -949 -1179 -1166 -1244 -804 -1124 -356 -499 -32 81 147 345 717 823 1051 862 775 578 107 -340 -75 -552 -43 208 -681 -889 -615 -789 303 141 -166 -23 -56 156 -179 464 357 402 1 -432 -568 -14 -344 -82 224 451 575 1035 1046 64 120 40 167 448 -140 -90 -148 433 -565 -304 -108 -259 -28 -394 325 -227 309 -436 -449 101 212 -103 -86 299 -774 -307 -207 -599 -464 149 -315 654 -226 343 -51 -9 -218 -237 144 -157 64 74 341 -123 -117 400 -319 -121 -702 -153 -24 -191 -750 -228 -469 -535 20 -539 50 -632 183 -433 241 318 515 197 1014 72 388 366 663 486 362 788 884 832 432 -248 415 307 67 1077 147 -293 205 -299 -244 -309 387 60 503 -25 -24 -738 -1008 -1069 -1200 -810 -1194 -393 -569 -36 92 159 352 691 772 1014 896 880 714 141 -458 -98 -687 -51 242 -824 -1130 -811 -1081 430 210 -261 -38 -92 247 -271 672 508 580 1 -677 -911 -22 -543 -127 334 652 807 1433 1497 98 193 66 285 783 -255 -169 -287 848 -1123 -599 -208 -485 -51 SS 20231008T075027.8Z 8681.326710 316 1 20.36 2 72.60 126.45 31.51 207.72 0.00 1 0.00 1 0 25 1.892e-02 4.964e-03 8.081e-03 9.822e-04 3.800731e-01 5.092559e-04 5.045213e-03 -6.000000e+00 1.121043e-02 225.32 -2.00 3.88 -2.00 318.79 0.00e+00 5.000340e-04 1.022402e-04 1.560224e-04 -6.000000e+00 4.535127e-04 276.37 -2.00 20.00 -2.00 318.49 0.00e+00 3.297 0.001 302.00 328.00 3 1.5252e+00 1.3700e-03 3.9083e-02 -6.0000e+00 2.7891e-02 3.0997e-02 1.5499e-03 2.1623e-02 -6.0000e+00 3.0321e-02 -1.0598e-02 1.1519e-03 1.0974e-02 -6.0000e+00 1.7857e-02 -1.4064e-03 6.1734e-04 3.2796e-03 -6.0000e+00 7.4836e-03 2.8335e-03 -6.5553e-04 3.0576e-05 3.9514e-05 -6.0000e+00 5.6717e-04 -1.0485e-02 0.0000e+00 12 1 1 12 1 1 99.73 22.51 0.19 -0.01049 -0.01541 144 69 1 5 0 140.331 25.58 20.00 22.51 20.63 33.8 1017.84 -4332 -2813 -9555 -1684 -9857 -2039 -8442 -1544 -5197 -3077 -6427 -1387 -2177 -3673 -689 -3397 98 -2196 2099 -2319 -140 -1357 172 1181 -1638 -331 -2480 -902 -1446 294 -1030 813 455 -1601 -878 -1690 -486 -591 -120 -1232 -1062 -1309 -885 -972 -455 -104 -477 -113 -372 1092 438 851 967 1347 731 727 1035 467 622 765 1429 1287 1559 574 137 412 340 796 762 619 -155 -41 -315 -275 -237 170 157 175 768 -404 -270 -1084 -1366 -1279 -1053 -956 -430 -309 -238 -209 194 623 654 1137 690 529 850 571 -193 -612 -242 -467 137 191 -556 -731 -635 -377 -98 37 -91 -181 -219 65 198 485 669 522 223 -299 -566 -291 -152 -138 261 197 734 1142 781 422 231 6 75 238 -6 -259 34 160 -384 -314 -159 -269 -39 -145 -105 -402 -64 -376 -69 -318 -61 -237 -148 -332 -72 -129 -262 -56 -301 9 -224 217 -262 -16 -158 20 145 -222 -47 -361 -125 -194 39 -146 126 78 -298 -160 -304 -92 -129 -31 -383 -346 -459 -323 -363 -171 -39 -180 -42 -139 412 176 368 451 667 383 394 573 261 344 417 788 709 937 378 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