File name: Pandora21s1_Bremen_20210407_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T194417.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v12d20201116.txt Level 1 file used: Pandora21s1_Bremen_20210407_L1_smca1c12d20201116p1-8.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: 20210407 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 20210407T090251.5Z 7767.376985 208 1 7.09 2 54.59 134.28 72.91 192.50 0.00 1 0.00 1 0 25 2.858e-02 7.464e-03 3.303e-02 6.325e-03 3.544101e-01 3.274784e-03 4.693759e-03 -6.000000e+00 1.697619e-02 226.94 -2.00 3.88 -2.00 317.95 0.00e+00 5.296529e-04 5.251786e-04 1.130151e-04 -6.000000e+00 6.845298e-04 271.17 -2.00 20.00 -2.00 317.65 0.00e+00 1.721 0.000 302.00 328.00 3 4.8572e+00 8.6892e-03 2.6655e-02 -6.0000e+00 4.2386e-02 4.4215e-02 9.7481e-03 1.9968e-02 -6.0000e+00 4.6088e-02 6.6892e-03 6.4326e-03 1.0035e-02 -6.0000e+00 2.7111e-02 -8.1816e-03 3.3409e-03 2.9120e-03 -6.0000e+00 1.1267e-02 4.4530e-04 5.8731e-04 1.9400e-04 3.5276e-05 -6.0000e+00 8.5777e-04 -1.0466e-03 1.5982e-04 12 9 1 12 9 1 99.94 22.30 0.10 -0.00105 0.00337 3 6 2 5 0 1728.467 25.28 20.00 22.30 10.07 23.0 1021.74 8383 9958 1194 -8510 -16867 -6670 1870 12982 2384 -1050 -2819 -452 -6671 1932 1321 -300 -168 1214 -3095 -2098 -1669 5318 -5624 668 6327 -1754 -4923 -1841 7092 1951 1700 1192 756 -115 1837 1366 -59 -3 -1558 -1744 474 -1255 -2632 -403 -557 -590 -136 -2291 -431 -1322 791 2016 2578 -495 118 426 517 1143 -543 2055 1261 716 1559 972 -221 1876 -889 -690 -318 -217 443 276 -1026 -23 488 770 1147 1773 -995 648 -766 -2211 -1914 -283 -915 -405 174 53 -555 -264 36 841 494 1864 1177 25 322 724 -379 -179 112 -985 -879 813 -546 -809 -153 -298 185 216 -460 -510 -43 312 204 797 -14 -191 -438 -200 -493 -375 -329 -539 393 1008 107 1321 357 392 646 221 596 998 296 -94 -293 -67 -88 -765 99 -330 -595 439 567 76 -570 -1137 -398 109 759 169 -81 -228 -38 -667 207 164 -42 -25 190 -527 -367 -298 896 -1074 127 1211 -375 -1085 -381 1304 377 351 271 187 -30 455 337 -16 -1 -565 -723 211 -595 -1299 -198 -275 -292 -67 -1136 -211 -663 409 1097 1477 -304 75 275 339 746 -355 1307 824 495 1145 756 -176 1423 -660 -505 -243 -180 391 253 -952 -20 414 606 840 1251 -742 519 -680 -2144 -1960 -298 -1011 -467 208 65 -682 -317 41 903 504 1847 1213 27 387 931 -513 -243 147 -1232 -1052 963 -679 -1052 -204 -413 265 323 -720 -813 -68 474 296 1105 -19 -268 -640 -302 -759 -574 -495 -792 556 1377 143 1743 492 568 976 343 941 1612 496 -163 -520 -121 -158 -1369 172 -560 -992 SS 20210407T092455.7Z 7767.392311 221 1 49.31 2 52.34 140.50 73.69 197.76 0.00 1 0.00 1 0 17 7.065e-02 9.476e-03 3.763e-02 5.832e-03 3.434679e-01 3.019710e-03 4.527078e-03 -6.000000e+00 4.194017e-02 226.94 -2.00 3.88 -2.00 318.55 0.00e+00 3.356369e-04 5.573661e-04 1.231352e-04 -6.000000e+00 1.692660e-03 271.17 -2.00 20.00 -2.00 318.24 0.00e+00 1.633 0.000 302.00 328.00 3 6.4354e+00 8.0914e-03 2.5630e-02 -6.0000e+00 1.0471e-01 8.3734e-02 9.1296e-03 1.9370e-02 -6.0000e+00 1.1389e-01 -9.2384e-03 6.3276e-03 9.7869e-03 -6.0000e+00 6.6992e-02 -2.4186e-03 3.3251e-03 2.8726e-03 -6.0000e+00 2.7819e-02 1.0021e-04 -4.6287e-04 1.8406e-04 3.5378e-05 -6.0000e+00 2.1213e-03 6.8022e-04 2.1845e-06 12 8 8 10 0 0 99.96 22.30 0.71 0.00068 -0.00280 25 5 1 5 0 1972.178 25.28 20.00 22.30 10.66 23.0 1023.96 6648 -20344 -3149 -18407 39866 -37910 30402 -3038 15521 6751 6197 8816 -14100 9123 -6194 16840 -10186 13292 6766 4534 5479 -7975 10152 -2741 -1446 -8217 7875 -4929 3777 3505 -1466 1162 -1695 6217 -7185 4090 -4922 3155 -1453 247 -1431 -2671 1461 -2324 904 -3127 -442 -2703 -1287 2146 814 1398 970 3169 -1808 3300 -1064 2744 59 997 817 1903 1383 46 673 -69 1435 -858 830 -1027 1445 -77 -822 433 -1408 395 -623 -822 -1857 811 -495 407 -1562 -1515 -228 -866 210 -800 604 -301 1447 361 -121 1363 -537 1062 -335 1033 -558 -73 -999 -207 -95 -1142 -332 -775 545 -215 1259 -233 514 83 85 273 -454 898 -1191 947 -1188 -111 -377 583 -160 227 292 -548 1510 -898 155 -197 712 -423 677 82 -360 41 58 443 64 747 -283 -339 -1043 306 -1316 -179 -1154 1369 -2561 1160 -174 825 411 388 568 -1262 761 -685 1664 -1388 1528 865 613 751 -1248 1371 -442 -244 -1537 1262 -858 579 538 -251 213 -347 1219 -1558 788 -1110 762 -435 84 -547 -1093 593 -992 375 -1349 -185 -1138 -534 877 355 650 483 1629 -1010 1805 -618 1535 34 554 465 1143 903 33 479 -47 918 -550 553 -771 1153 -66 -703 354 -1098 276 -403 -510 -1209 571 -395 355 -1492 -1524 -240 -971 246 -971 726 -354 1578 368 -115 1246 -521 1108 -391 1310 -763 -100 -1316 -252 -109 -1322 -402 -997 724 -301 1823 -363 840 139 141 430 -674 1245 -1653 1321 -1775 -172 -602 918 -248 338 416 -754 1958 -1181 211 -289 1096 -682 1107 139 -641 77 111 860 125 1431 -529 -611 -1841 SS 20210407T093337.3Z 7767.398349 227 1 8.63 2 51.53 143.04 74.08 199.81 0.00 1 0.00 1 0 17 2.085e-02 6.898e-03 1.962e-02 5.239e-03 3.328871e-01 2.717924e-03 4.442994e-03 -6.000000e+00 1.237778e-02 226.95 -2.00 3.88 -2.00 317.38 0.00e+00 5.268613e-04 3.743173e-04 8.863384e-05 -6.000000e+00 4.995747e-04 271.17 -2.00 20.00 -2.00 317.08 0.00e+00 1.604 0.000 302.00 328.00 3 5.5003e+00 7.1460e-03 2.4956e-02 -6.0000e+00 3.0903e-02 6.3200e-02 7.9907e-03 1.8749e-02 -6.0000e+00 3.3612e-02 -1.1362e-02 4.9664e-03 9.3935e-03 -6.0000e+00 1.9771e-02 1.4186e-03 2.4973e-03 2.7045e-03 -6.0000e+00 8.2104e-03 2.7005e-04 -2.2965e-04 1.5966e-04 3.3631e-05 -6.0000e+00 6.2608e-04 -2.4850e-04 -4.1570e-05 12 9 1 12 1 1 999.00 22.30 0.25 -0.00025 -0.00197 2 4 1 5 0 2818.276 25.28 20.00 22.30 10.66 23.0 1023.53 -3322 4486 2394 -10274 -1879 5259 -4176 9418 -5234 1672 -8538 -3183 -972 -5352 3862 -2144 124 -3418 1507 -411 3254 2589 -1762 -1021 -1421 3512 -4463 2614 -374 2485 -131 -263 -355 -570 1595 -940 -270 863 1416 -2718 253 -852 -820 -224 118 811 -933 288 -764 521 -477 392 277 691 12 740 1233 398 888 546 2182 470 1415 65 487 638 -1749 930 -135 1024 384 418 86 17 -973 -1838 223 261 979 -1402 -266 -2186 -1040 -1558 -383 -857 -427 463 -327 443 -238 997 565 435 416 704 1172 356 -247 -613 -75 -194 302 -577 -638 -814 -1193 267 -122 608 -184 610 -44 371 -226 82 563 -56 162 -553 128 -287 166 -199 379 -46 436 1295 586 -182 128 742 168 737 -774 -201 -246 98 -198 -379 -37 -312 -80 -284 391 219 -1009 -158 402 -367 809 -565 178 -1022 -382 -128 -845 640 -413 25 -741 326 -93 730 587 -424 -256 -377 922 -1253 666 -94 608 -35 -76 -110 -182 486 -290 -88 318 600 -1344 132 -469 -463 -128 67 458 -531 161 -429 294 -282 243 181 468 8 526 884 287 630 387 1557 356 1130 55 414 524 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