File name: Pandora21s1_Bremen_20250123_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20250123T234022.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250123_L1_smca1c7d20231020p1-8.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: 20250123 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20250123T113523.0Z 9154.482905 337 1 14.25 2 72.40 179.68 101.38 247.17 0.00 1 0.00 1 0 25 4.327e-02 5.438e-03 2.736e-02 2.393e-03 4.440378e-01 1.212838e-03 5.750658e-03 -6.000000e+00 2.493316e-02 221.94 -2.00 3.88 -2.00 319.29 0.00e+00 5.252196e-04 2.880614e-04 2.147819e-04 -6.000000e+00 1.035458e-03 265.76 -2.00 20.00 -2.00 318.97 0.00e+00 3.262 0.001 302.00 328.00 3 2.9147e+00 3.2882e-03 4.0417e-02 -6.0000e+00 6.1535e-02 7.5415e-02 3.7868e-03 2.4543e-02 -6.0000e+00 6.7443e-02 -2.6327e-02 3.0695e-03 1.2566e-02 -6.0000e+00 3.9820e-02 2.4787e-03 1.6515e-03 3.7573e-03 -6.0000e+00 1.6457e-02 6.6829e-04 -1.0038e-03 7.3891e-05 4.6607e-05 -6.0000e+00 1.2999e-03 -6.2458e-03 0.0000e+00 12 1 1 12 1 1 99.98 22.95 0.27 -0.00625 -0.01379 39 28 1 5 0 355.849 26.00 20.00 22.95 12.72 35.5 1007.85 -18095 -13777 -24988 13394 3344 -3943 -2823 -16101 -26 -14266 8078 -15183 -4840 -11029 -573 1205 2734 -2542 -1998 4635 -1109 5537 -6928 946 -4644 -3332 -2311 -2539 3682 1006 1039 -3623 511 -3829 3273 -2703 -350 -570 -1549 -955 -2570 -590 -1771 92 -77 1483 131 -410 186 423 1035 690 1113 544 2061 426 664 161 1147 1610 1192 1451 1173 266 322 315 -186 1144 443 -10 596 -129 456 -458 50 -1037 96 -24 -467 -816 -946 -1186 -1460 -1524 -1083 -82 -552 224 102 655 346 977 980 684 1021 717 804 -91 -267 -719 -376 -141 341 -616 -1062 -636 -544 46 -261 -50 -3 -163 -9 -37 662 353 499 250 38 -671 -94 -199 47 86 -31 668 1175 912 58 233 100 -39 170 -5 -311 -69 320 -219 -249 -118 -70 -268 -19 -504 -402 -770 284 74 -95 -74 -545 -1 -513 263 -657 -226 -659 -36 83 202 -198 -163 366 -94 448 -671 91 -503 -366 -247 -261 354 106 123 -507 74 -582 452 -413 -59 -116 -358 -251 -746 -177 -551 28 -24 456 41 -130 60 144 383 278 479 249 967 198 310 79 546 771 572 762 677 164 196 183 -107 673 291 -7 441 -98 336 -319 33 -636 55 -14 -308 -586 -770 -1065 -1336 -1481 -1117 -89 -595 243 114 692 340 934 902 654 1019 809 970 -116 -354 -930 -469 -161 395 -713 -1317 -828 -712 63 -391 -77 -5 -270 -14 -56 975 504 721 379 58 -1075 -149 -309 74 130 -44 910 1636 1269 89 371 169 -66 297 -10 -587 -135 638 -445 -501 -229 -130 -494 -35 SS 20250123T114243.0Z 9154.487998 341 1 49.48 2 72.41 181.50 102.38 248.50 0.00 1 0.00 1 0 25 1.128e-01 7.591e-03 8.383e-02 5.084e-03 4.410215e-01 2.593558e-03 5.688909e-03 -6.000000e+00 6.499939e-02 221.94 -2.00 3.88 -2.00 319.71 0.00e+00 1.423550e-04 6.825651e-04 2.359936e-04 -6.000000e+00 2.699480e-03 265.76 -2.00 20.00 -2.00 319.38 0.00e+00 3.264 0.001 302.00 328.00 3 4.7846e+00 7.1161e-03 4.0360e-02 -6.0000e+00 1.6042e-01 1.1980e-01 8.3082e-03 2.4461e-02 -6.0000e+00 1.7582e-01 -2.5346e-02 7.1424e-03 1.2603e-02 -6.0000e+00 1.0381e-01 -5.0358e-04 3.8275e-03 3.8096e-03 -6.0000e+00 4.2900e-02 1.0059e-04 -1.0703e-03 1.6073e-04 4.8967e-05 -6.0000e+00 3.3890e-03 -5.8472e-03 0.0000e+00 11 8 0 10 0 0 99.98 22.95 0.23 -0.00585 -0.01389 19 4 1 5 0 2603.497 26.00 20.00 22.95 12.95 35.7 1009.03 72353 -45862 39062 -36078 36982 -29996 7744 3485 -490 -6771 -27412 24983 -26751 27687 -22106 -4859 5275 -2442 4691 -10168 3149 -11899 8831 -4105 10941 -6594 3934 -3497 3695 -6264 -338 9103 -8572 17125 -4684 6257 -3372 -4124 -4964 -4048 -1524 -2630 4419 -3369 299 -549 1652 -772 2860 2582 161 619 1068 2740 -2643 3976 155 1294 1058 2322 76 2169 1504 -1952 3155 127 700 76 232 704 1512 202 -606 878 -1104 59 -1322 2469 440 -304 -1542 -1447 -698 -1457 -1241 -341 194 97 -197 -278 -20 276 731 976 131 721 434 638 -832 -185 -266 -407 -442 -930 -107 -997 -155 -542 925 79 -354 23 -259 427 299 520 581 -191 -969 -70 -641 603 475 -112 118 728 1033 588 975 -761 309 402 41 261 -301 85 -85 -117 -451 308 -216 -33 -370 730 -1419 576 -982 502 -744 151 79 -13 -192 -986 626 -1258 938 -1367 -284 302 -160 302 -779 216 -959 618 -349 858 -626 333 -306 300 -594 -34 934 -1121 1761 -580 726 -486 -714 -1029 -946 -377 -690 1113 -923 80 -148 436 -211 774 740 51 212 390 1040 -1098 1595 65 531 428 937 33 1008 767 -1084 1654 66 353 40 135 450 1021 141 -415 560 -659 32 -685 1266 254 -201 -1155 -1185 -604 -1340 -1209 -347 204 104 -208 -280 -19 241 613 844 125 761 511 813 -1109 -239 -321 -457 -482 -1056 -128 -1256 -203 -752 1353 124 -588 39 -425 659 437 737 833 -287 -1540 -114 -1044 948 727 -166 168 993 1379 819 1461 -1244 528 708 74 497 -605 177 -180 -251 -958 632 -429 -62 -703 SS 20250123T114740.8Z 9154.491445 344 1 50.50 2 72.44 182.73 103.06 249.40 0.00 1 0.00 1 0 25 7.475e-02 5.638e-03 6.581e-02 4.478e-03 4.418605e-01 2.286880e-03 5.650544e-03 -6.000000e+00 4.307764e-02 221.94 -2.00 3.88 -2.00 319.81 0.00e+00 1.093413e-03 6.175940e-04 2.494317e-04 -6.000000e+00 1.788833e-03 265.76 -2.00 20.00 -2.00 319.48 0.00e+00 3.269 0.001 302.00 328.00 3 4.4197e+00 6.2990e-03 4.0397e-02 -6.0000e+00 1.0632e-01 9.6665e-02 7.3760e-03 2.4455e-02 -6.0000e+00 1.1652e-01 -9.4741e-03 6.4534e-03 1.2637e-02 -6.0000e+00 6.8795e-02 -6.6166e-03 3.4528e-03 3.8443e-03 -6.0000e+00 2.8436e-02 1.4484e-04 -7.4811e-04 1.4196e-04 4.9030e-05 -6.0000e+00 2.2456e-03 -7.2506e-03 0.0000e+00 10 0 0 10 0 0 99.96 22.96 0.22 -0.00725 -0.01287 49 10 1 5 0 1030.352 26.00 20.00 22.96 13.08 35.6 1009.54 -4641 -41464 -13647 -27843 3576 28832 -24057 5453 6028 31407 -22313 -12555 -19835 -17992 20541 4714 4363 -5135 3700 6833 838 -2486 8212 107 13 9979 378 3167 1609 4138 2352 10019 -1210 2257 2674 -6318 4282 -3707 2106 -3490 -2681 -3507 1251 1120 -735 -686 -1237 -1460 -1761 939 937 1051 -1774 1669 -335 390 1795 -587 1007 1501 2741 894 1541 -1040 1371 -987 -28 367 -241 1705 -1009 839 -438 -9 -244 21 -694 410 -215 -1957 -382 -1301 -502 -1694 -195 -796 57 365 119 531 242 1419 826 902 639 1143 367 -268 287 309 -511 -327 651 -435 -723 -655 -306 -103 -447 353 22 230 -335 58 -239 577 -326 -50 -463 -429 311 28 -6 25 240 -251 960 236 230 -29 -271 218 377 353 -249 136 54 118 -224 -485 -146 258 -83 -90 -1188 -312 -686 64 425 -602 118 141 620 -732 -422 -836 -883 828 242 242 -330 231 429 56 -175 553 8 1 767 31 248 128 341 221 980 -142 257 297 -793 550 -609 388 -769 -635 -879 309 280 -189 -177 -322 -386 -480 263 285 346 -642 617 -131 156 714 -236 393 589 1123 407 762 -556 710 -501 -14 188 -137 1051 -681 566 -292 -6 -141 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