File name: Pandora21s1_Bremen_20240319_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250501T001405.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 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_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20240319_L1_smca1c10d20231020p1-8.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: 20240319 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 20240319T080719.7Z 8844.338422 275 1 10.16 2 68.20 122.83 100.85 9.90 0.00 1 0.00 1 0 25 7.177e-02 8.522e-03 6.821e-02 6.837e-03 4.387531e-01 3.488625e-03 5.679289e-03 -6.000000e+00 4.186289e-02 225.42 -2.00 3.88 -2.00 318.92 0.00e+00 7.325083e-04 7.414108e-04 1.888592e-04 -6.000000e+00 1.717495e-03 268.88 -2.00 20.00 -2.00 318.60 0.00e+00 2.669 0.000 302.00 328.00 3 4.9043e+00 9.4126e-03 3.6271e-02 -6.0000e+00 1.0410e-01 8.9456e-02 1.0725e-02 2.4520e-02 -6.0000e+00 1.1386e-01 -3.7871e-02 8.1131e-03 1.2371e-02 -6.0000e+00 6.7057e-02 9.3835e-03 4.3380e-03 3.5968e-03 -6.0000e+00 2.7488e-02 1.5539e-04 -7.2223e-04 2.0792e-04 4.3592e-05 -6.0000e+00 2.1582e-03 2.1345e-04 0.0000e+00 12 9 1 12 1 1 999.00 22.30 0.29 0.00021 -0.00521 2 3 1 5 0 3382.777 25.39 20.00 22.30 14.49 34.4 1017.82 6420 -15379 -33460 -15742 -4144 -34933 25201 14438 47819 8383 -5442 -6518 -1059 -2421 938 -738 6264 -510 -13609 8260 212 3903 -4653 5112 3931 -6106 -5539 -2992 7904 -8825 -1507 -4512 6006 62 -4411 3394 -7650 -518 -1332 -782 678 2243 -1422 882 -1797 1990 1381 -30 -408 1173 4456 1182 1504 889 710 -150 159 -1514 565 1929 868 1259 -1636 764 -351 32 697 -146 1023 839 1173 -970 86 -129 -672 -443 355 -293 -826 -1592 -102 -1383 -1647 -430 -1106 -160 -496 334 -633 228 -58 737 1639 2106 1733 504 535 -534 -531 385 -255 937 -84 -445 -1364 -647 -352 48 -896 704 1311 -520 -1444 396 796 -353 132 422 -227 -1666 608 -263 48 1164 248 349 631 687 542 -431 433 -28 -9 -229 -497 322 957 -383 -219 -181 -553 432 -458 171 -543 -1403 -530 -119 -1352 616 435 1156 304 -236 -321 -59 -161 70 -62 528 -49 -1538 788 22 400 -544 583 479 -835 -740 -377 897 -1247 -222 -762 985 11 -779 581 -1641 -123 -373 -245 224 764 -513 314 -660 710 495 -11 -153 458 1817 531 715 445 367 -80 85 -812 294 1003 478 745 -1066 508 -233 21 435 -95 718 640 939 -798 69 -99 -479 -292 223 -190 -585 -1263 -88 -1289 -1615 -437 -1183 -177 -567 382 -719 248 -59 715 1540 2028 1799 576 663 -708 -719 508 -320 1101 -97 -534 -1721 -842 -474 68 -1325 1085 2086 -842 -2300 598 1151 -504 189 625 -351 -2649 950 -406 73 1692 352 481 856 962 806 -681 705 -47 -15 -407 -916 605 1820 -737 -419 -339 -1005 759 -808 SS 20240319T095117.6Z 8844.410620 339 1 2.75 2 57.37 149.53 95.65 31.95 0.00 1 0.00 1 0 25 1.654e-02 7.423e-03 1.801e-02 6.556e-03 3.011010e-01 3.360696e-03 4.010913e-03 -6.000000e+00 9.649118e-03 225.42 -2.00 3.88 -2.00 316.91 0.00e+00 4.091330e-04 4.117647e-04 6.670039e-05 -6.000000e+00 3.958816e-04 268.89 -2.00 20.00 -2.00 316.59 0.00e+00 1.848 0.000 302.00 328.00 3 4.5235e+00 8.7673e-03 2.4981e-02 -6.0000e+00 2.3996e-02 3.2317e-02 9.8359e-03 1.6768e-02 -6.0000e+00 2.6244e-02 -3.8560e-03 5.8592e-03 8.3744e-03 -6.0000e+00 1.5457e-02 -7.2982e-04 2.8105e-03 2.3799e-03 -6.0000e+00 6.3356e-03 6.2254e-04 -2.5337e-04 2.0093e-04 3.0497e-05 -6.0000e+00 4.9747e-04 5.2414e-04 0.0000e+00 12 9 1 12 1 1 999.00 22.30 0.18 0.00052 -0.00138 1 7 1 5 0 1365.655 25.39 20.00 22.30 16.76 34.9 1030.25 -6418 6124 -5114 2369 -7458 -3752 -2436 -1104 -1406 -467 2985 -636 2025 183 -3357 783 -967 268 2067 4365 -229 4118 -1001 -1234 -289 -1664 -2623 2240 3335 -1021 2512 -2373 1546 424 -338 -1350 1314 311 -1880 71 324 886 -2313 -62 -1705 -844 -2181 -610 -829 -65 -598 340 1619 942 405 -101 1153 822 1135 879 1483 2578 -201 702 275 1067 -1662 563 546 15 424 -359 -300 -585 248 60 1409 946 467 106 -700 -911 -1089 -1496 -1328 -53 5 -13 -720 -179 -502 446 -89 336 607 547 62 92 -750 358 58 220 136 -182 -236 -817 -949 587 -639 422 -510 -281 427 484 124 274 704 -27 -93 -758 -453 -21 -901 513 788 1415 899 920 1078 780 -31 63 591 -286 -254 -821 307 -47 -391 -489 -455 264 -285 -842 761 -694 281 -907 -446 -310 -153 -210 -71 450 -107 375 39 -815 196 -256 73 572 1216 -67 1169 -306 -397 -96 -564 -875 690 996 -324 828 -869 572 156 -123 -510 536 146 -1005 41 194 544 -1471 -39 -1084 -531 -1369 -376 -514 -41 -397 234 1151 692 304 -77 877 622 851 666 1160 2109 -175 620 238 882 -1363 464 479 14 412 -354 -292 -551 220 50 1117 756 396 97 -689 -945 -1170 -1669 -1540 -63 7 -16 -879 -211 -566 476 -92 352 665 638 77 120 -993 462 71 261 160 -221 -299 -1067 -1274 804 -911 619 -769 -421 622 676 166 361 933 -37 -132 -1105 -662 -30 -1282 706 1054 1836 1154 1203 1464 1101 -45 93 884 -441 -404 -1337 505 -79 -647 -797 -726 411 -444 SS 20240319T095620.0Z 8844.414120 342 1 50.10 2 56.99 150.96 95.27 32.97 0.00 1 0.00 1 0 25 1.022e-02 5.129e-03 3.550e-03 8.531e-04 3.002304e-01 4.336994e-04 3.966252e-03 -6.000000e+00 5.962236e-03 225.42 -2.00 3.88 -2.00 317.92 0.00e+00 3.231666e-04 6.845810e-05 8.833248e-05 -6.000000e+00 2.446413e-04 268.89 -2.00 20.00 -2.00 317.58 0.00e+00 1.830 0.000 302.00 328.00 3 3.5019e+00 1.1475e-03 2.4837e-02 -6.0000e+00 1.4827e-02 3.5236e-02 1.2942e-03 1.6752e-02 -6.0000e+00 1.6217e-02 -7.8209e-03 8.2659e-04 8.4022e-03 -6.0000e+00 9.5509e-03 -7.5331e-04 4.1873e-04 2.4122e-03 -6.0000e+00 3.9145e-03 1.7639e-03 -6.2287e-04 2.6765e-05 2.9452e-05 -6.0000e+00 3.0742e-04 1.1878e-03 0.0000e+00 10 0 0 10 0 0 99.90 22.31 0.21 0.00119 -0.00349 177 35 1 5 0 283.008 25.39 20.00 22.31 17.16 35.1 1032.15 -5245 -1785 -2797 566 -1057 -144 -3440 -1023 -1962 -669 -887 -3602 -2477 -2844 -1315 -1424 18 -567 -81 646 822 1465 -759 344 138 999 -418 1297 1069 990 674 522 -184 -790 409 -1299 -667 -1500 -1027 -1389 -865 -579 -721 -44 -625 -50 -463 -25 250 720 706 681 773 586 998 437 762 586 1225 1162 1342 1152 625 -14 -66 422 344 1143 426 -15 -160 -288 -420 -352 134 84 473 553 267 -516 -977 -1453 -1256 -1003 -1026 -497 -427 -80 -303 307 253 610 781 1049 815 812 703 -242 -504 -463 -512 52 545 -344 -555 -408 -493 -39 -4 -74 -328 -164 -175 85 554 588 566 283 -218 -596 -219 -270 -127 243 263 785 1189 907 385 303 23 231 234 132 -177 14 158 -365 -215 -240 -232 -229 -216 -414 -144 -225 44 -77 -10 -282 -92 -192 -66 -90 -409 -296 -393 -202 -236 3 -102 -15 123 157 280 -155 74 31 225 -92 267 230 219 151 127 -47 -202 108 -336 -195 -524 -420 -641 -425 -294 -374 -23 -325 -25 -234 -12 124 368 385 397 476 377 613 276 481 392 803 773 877 816 478 -11 -51 300 235 796 329 -12 -146 -268 -383 -303 105 64 334 392 207 -423 -898 -1457 -1250 -1055 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