File name: Pandora21s1_Bremen_20220607_L2Fit_fout2c9d20211128p1-8.txt File generation date: 20250424T083047.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 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_v9d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220607_L1_smca1c9d20211128p1-8.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: 20220607 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 20220607T083610.1Z 8193.358450 291 1 5.52 2 43.80 117.22 105.48 47.65 0.00 1 0.00 1 0 17 9.336e-03 5.870e-03 7.163e-03 3.753e-03 2.146464e-01 2.011893e-03 2.886654e-03 -6.000000e+00 5.679460e-03 232.94 -2.00 3.88 -2.00 315.93 0.00e+00 -8.144652e-05 1.879405e-04 3.232942e-05 -6.000000e+00 2.235980e-04 278.98 -2.00 20.00 -2.00 315.63 0.00e+00 1.384 0.000 302.00 328.00 3 4.9146e+00 5.2723e-03 1.8782e-02 -6.0000e+00 1.4387e-02 4.0092e-02 5.8291e-03 1.2457e-02 -6.0000e+00 1.5562e-02 -4.1796e-03 3.3503e-03 6.0883e-03 -6.0000e+00 9.1113e-03 5.0026e-04 1.5079e-03 1.6895e-03 -6.0000e+00 3.7528e-03 7.5301e-04 -3.0088e-04 1.1581e-04 2.3203e-05 -6.0000e+00 2.8051e-04 2.8554e-04 0.0000e+00 12 1 1 12 1 1 99.99 22.30 0.18 0.00029 -0.00198 6 13 1 5 0 763.470 25.39 20.00 22.30 22.53 29.6 1012.18 -820 1536 -3897 -2294 -2576 -594 363 2870 -1664 -1242 -681 480 1992 1329 1287 -697 -57 501 2084 -2145 -887 1111 619 1355 -398 1119 -830 425 -195 1090 877 1224 1956 -781 -1476 -953 -1005 -254 -515 -263 -1035 -526 -952 -106 -742 -1717 -1037 -413 19 850 991 1471 572 699 728 -101 160 780 781 435 1276 776 888 331 209 31 -53 677 475 414 -249 114 -201 -116 223 0 463 607 -621 -550 -724 -1154 -1995 -1089 -1125 -771 -311 -158 7 -215 71 304 69 981 693 256 828 1142 13 -457 372 -750 94 277 -908 -423 -243 -164 -38 107 95 16 -29 -87 -236 558 110 2 285 282 -589 55 -520 -43 592 -273 642 945 618 417 165 476 249 253 -254 8 -28 207 -627 -335 -205 -514 106 -172 340 -918 -509 -528 -114 71 603 -396 -308 -169 120 524 388 414 -245 -21 186 783 -855 -356 439 249 560 -174 496 -372 182 -80 428 351 514 859 -358 -661 -417 -461 -129 -299 -170 -723 -381 -705 -79 -553 -1284 -762 -295 14 590 702 1083 441 556 592 -84 135 653 648 360 1067 676 813 316 200 29 -47 572 411 383 -246 117 -208 -118 219 0 398 497 -514 -482 -685 -1168 -2129 -1196 -1285 -918 -383 -199 8 -269 85 346 74 1009 721 280 961 1407 16 -596 471 -914 110 323 -1111 -538 -318 -220 -52 153 140 24 -42 -123 -318 715 139 2 378 389 -839 78 -736 -59 792 -355 807 1166 779 547 224 656 347 359 -372 12 -44 324 -994 -529 -318 -784 158 SS 20220607T111920.3Z 8193.471763 393 1 10.43 2 30.32 178.03 84.82 80.85 0.00 1 0.00 1 0 17 6.836e-03 5.272e-03 2.555e-03 1.683e-03 1.736402e-01 9.097897e-04 2.336281e-03 -6.000000e+00 4.159134e-03 232.94 -2.00 3.88 -2.00 315.07 0.00e+00 1.603965e-04 7.115297e-05 1.963659e-05 -6.000000e+00 1.637223e-04 278.99 -2.00 20.00 -2.00 314.79 0.00e+00 1.158 0.000 302.00 328.00 3 4.4381e+00 2.3676e-03 1.5447e-02 -6.0000e+00 1.0536e-02 2.2371e-02 2.6114e-03 1.0047e-02 -6.0000e+00 1.1396e-02 5.3442e-03 1.4862e-03 4.9058e-03 -6.0000e+00 6.6722e-03 -2.2051e-03 6.4332e-04 1.3581e-03 -6.0000e+00 2.7485e-03 1.6471e-03 -2.4594e-04 5.1672e-05 1.9801e-05 -6.0000e+00 2.0539e-04 -5.5031e-04 0.0000e+00 12 1 1 12 1 1 99.90 22.31 0.29 -0.00055 -0.00240 13 13 1 5 0 731.887 25.39 19.99 22.31 23.13 29.9 1016.17 -637 -2088 -1167 -2468 -949 -789 12 374 945 -544 -16 1582 -272 1437 89 -278 -436 222 700 360 946 -240 1184 180 1086 -108 -471 -542 83 1468 425 1765 1095 -37 -1037 -49 -804 330 -300 -496 -831 -788 -683 -1094 -614 -699 -469 -725 -669 -184 687 827 500 1045 475 984 252 434 204 743 859 1120 1100 400 -49 -421 239 64 868 274 -233 -57 -420 -22 -207 178 -134 624 142 89 -738 -930 -1398 -1256 -773 -682 -383 -442 24 -365 481 190 335 742 661 542 544 762 -365 -148 -355 -87 31 396 -484 -663 -584 -372 -68 -48 -20 -29 -48 -157 -112 279 506 494 185 -40 -498 -75 -34 86 429 386 847 759 888 68 582 86 250 147 93 -129 -18 16 -520 -104 -473 -248 -438 -191 -684 -382 -772 -272 -220 3 112 310 -183 -6 539 -98 564 38 -125 -204 105 340 175 464 -119 583 93 579 -58 -260 -284 41 712 205 882 580 -20 -550 -25 -436 192 -196 -366 -643 -641 -556 -902 -502 -580 -380 -568 -518 -140 530 671 418 884 416 872 223 383 183 657 774 1038 1066 402 -50 -410 216 56 778 259 -238 -60 -441 -23 -210 171 -119 534 121 80 -714 -946 -1500 -1387 -883 -816 -467 -560 31 -457 572 216 359 758 681 586 620 929 -461 -188 -442 -103 36 460 -578 -831 -752 -490 -92 -66 -29 -42 -67 -214 -146 348 610 608 238 -54 -682 -103 -46 115 552 481 1037 904 1083 86 757 114 335 198 129 -185 -27 23 -779 -154 -699 -360 -622 SS 20220607T140027.1Z 8193.583647 492 1 49.62 2 42.37 239.83 62.20 113.85 0.00 1 0.00 1 0 17 1.606e-02 6.174e-03 1.169e-02 4.403e-03 2.154773e-01 2.336909e-03 2.872184e-03 -6.000000e+00 9.767210e-03 232.95 -2.00 3.88 -2.00 317.01 0.00e+00 5.030453e-04 2.766135e-04 4.438260e-05 -6.000000e+00 3.845339e-04 279.01 -2.00 20.00 -2.00 316.68 0.00e+00 1.352 0.000 302.00 328.00 3 6.3283e+00 6.1900e-03 1.8597e-02 -6.0000e+00 2.4743e-02 6.5882e-02 6.8644e-03 1.2502e-02 -6.0000e+00 2.6765e-02 -5.4569e-05 4.0609e-03 6.1259e-03 -6.0000e+00 1.5670e-02 -4.4079e-03 1.9204e-03 1.7152e-03 -6.0000e+00 6.4532e-03 1.8577e-04 -4.7783e-04 1.3869e-04 2.2126e-05 -6.0000e+00 4.8243e-04 9.0193e-04 0.0000e+00 10 0 0 10 0 0 99.98 22.31 0.11 0.00090 -0.00269 35 7 1 5 0 1417.443 25.39 20.00 22.31 24.43 29.8 1020.78 -4226 -2358 -3857 3998 -6959 4496 -720 10255 1496 1062 713 -381 1818 -3834 -1500 -1448 277 -1169 2700 8 309 2516 610 1363 -834 236 -507 -64 -1474 3896 121 1755 1893 -451 -205 -2231 -900 -718 -357 -1510 -885 -591 -855 56 -681 341 -170 -1646 -1541 -17 168 333 810 884 1274 523 1068 132 593 505 669 689 1975 1534 -156 -482 -962 -261 424 607 -103 765 30 -1 72 -1192 -329 -1559 -275 -530 133 -657 -1384 -388 -1136 -937 -382 -49 370 492 50 1479 158 342 67 546 624 600 401 -160 156 -816 -598 -263 -1326 -706 -880 4 -320 533 530 318 277 295 -482 11 -403 -471 72 -291 23 479 294 -11 181 412 -96 914 -291 656 -92 56 -344 542 137 -143 257 -33 -4 -139 203 -597 -385 -612 -364 -616 564 -996 548 -95 1339 232 174 118 -65 326 -814 -349 -366 72 -318 731 2 90 717 179 412 -270 78 -168 -20 -445 1081 36 541 619 -155 -68 -735 -309 -281 -163 -803 -514 -360 -536 35 -431 213 -105 -1002 -916 -10 101 210 535 609 901 380 783 98 432 366 495 537 1624 1333 -139 -409 -761 -197 326 510 -95 737 29 -1 65 -1010 -251 -1129 -198 -413 114 -620 -1404 -410 -1274 -1115 -477 -63 480 624 60 1628 162 331 66 573 714 749 532 -216 202 -996 -691 -303 -1631 -915 -1193 6 -466 806 837 512 439 444 -678 14 -516 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