File name: Pandora21s1_Bremen_20221114_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T194815.9Z 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_20221114_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: 20221114 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 20221114T121129.2Z 8353.507977 449 1 1.83 2 72.64 195.49 87.99 309.95 0.00 1 0.00 1 0 25 4.981e-02 7.896e-03 4.288e-02 6.076e-03 4.131465e-01 3.098221e-03 5.548332e-03 -6.000000e+00 2.895794e-02 220.78 -2.00 3.88 -2.00 318.50 0.00e+00 1.073292e-03 5.884110e-04 1.577453e-04 -6.000000e+00 1.192964e-03 270.96 -2.00 20.00 -2.00 318.22 0.00e+00 3.304 0.001 302.00 328.00 3 2.5907e+00 8.2238e-03 3.9792e-02 -6.0000e+00 7.1334e-02 4.6142e-02 9.2967e-03 2.2954e-02 -6.0000e+00 7.7833e-02 -2.9639e-02 6.6861e-03 1.1755e-02 -6.0000e+00 4.5985e-02 9.8426e-03 3.5922e-03 3.5418e-03 -6.0000e+00 1.9417e-02 9.2591e-04 -1.3693e-03 1.8429e-04 4.4263e-05 -6.0000e+00 1.4920e-03 1.2813e-03 0.0000e+00 12 9 1 12 1 1 82.11 22.05 0.10 0.00128 -0.00901 3 24 1 5 0 412.141 25.17 20.00 22.05 15.37 29.9 1021.57 -9990 -4475 -18866 467 -31657 5384 -26678 -16763 -3916 -2952 -4014 -13259 996 -4272 -1375 -3870 8405 -5427 7060 -9163 7064 -3883 4292 -4119 -2672 6283 -3011 3414 -3560 6848 -4104 1634 83 1903 -949 -2494 2682 -3095 2754 -3560 1445 -1691 501 -1137 -275 711 -2640 790 1515 2482 -849 2287 1239 689 881 1297 -292 -453 372 2294 2347 404 1840 339 1378 -232 -149 392 -187 945 -381 725 -362 -1866 -100 -1307 1378 891 104 -1467 977 -1416 -901 -1609 -1123 -1026 -669 -444 -1361 -143 641 1051 1732 1456 731 795 933 -110 -323 -500 110 -1080 960 -236 -1506 -180 -429 -535 -450 543 29 118 -467 -47 66 607 1002 531 -56 124 -595 -223 436 -278 -45 205 455 1111 508 240 111 246 314 778 -522 -365 -182 359 -289 -396 -346 -321 77 -399 -191 -957 20 -1650 196 -1343 -854 -197 -157 -223 -851 64 -338 -124 -403 854 -664 816 -1272 873 -533 561 -612 -416 947 -498 522 -561 992 -703 295 17 396 -200 -526 571 -785 776 -1213 521 -662 200 -469 -113 293 -1121 327 629 1046 -385 1081 627 368 488 736 -171 -266 215 1298 1347 247 1193 236 981 -165 -102 264 -132 713 -311 612 -310 -1583 -80 -992 963 606 73 -1131 812 -1294 -871 -1629 -1179 -1123 -759 -515 -1598 -164 707 1102 1727 1428 742 861 1089 -139 -430 -675 145 -1363 1141 -280 -1859 -230 -566 -729 -635 799 45 188 -743 -73 99 873 1416 762 -84 190 -934 -349 667 -420 -67 293 634 1533 726 362 176 401 522 1321 -921 -665 -338 673 -547 -745 -637 -576 134 SS 20221114T122049.1Z 8353.514457 452 1 49.72 2 73.04 197.77 89.03 311.71 0.00 1 0.00 1 0 25 4.196e-02 5.119e-03 3.670e-02 2.470e-03 4.218272e-01 1.275491e-03 5.570603e-03 -6.000000e+00 2.441587e-02 220.77 -2.00 3.88 -2.00 319.76 0.00e+00 4.509391e-04 3.387915e-04 2.402272e-04 -6.000000e+00 1.005269e-03 270.96 -2.00 20.00 -2.00 319.47 0.00e+00 3.377 0.001 302.00 328.00 3 3.1345e+00 3.5106e-03 4.0769e-02 -6.0000e+00 6.0146e-02 2.6450e-02 4.1054e-03 2.3704e-02 -6.0000e+00 6.5606e-02 2.2584e-02 3.6251e-03 1.2469e-02 -6.0000e+00 3.8762e-02 -1.8545e-02 1.9509e-03 3.9201e-03 -6.0000e+00 1.6382e-02 4.9469e-04 -6.7085e-04 7.8968e-05 5.0612e-05 -6.0000e+00 1.2566e-03 -4.5076e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.05 0.16 -0.00451 -0.00955 183 36 1 5 0 271.637 25.17 20.00 22.05 15.51 30.1 1022.47 3161 -7885 -5434 -21729 7204 -28313 6009 -254 20823 -12379 749 9547 -5833 6010 -1487 2305 1183 3419 -3256 -1020 -608 -3392 2330 3891 2117 96 -1726 -3648 77 -3502 2196 -210 1301 586 -444 1670 1201 222 -1746 659 -1952 -1926 -1741 -1261 -1178 -3082 748 -1715 162 -1246 1899 135 69 1173 800 935 205 802 86 1281 -52 2046 1130 849 31 -91 985 -529 1457 6 169 199 -193 -23 -254 556 72 1084 200 -97 -1039 -867 -1398 -1037 -696 -594 -318 -142 -67 -250 719 299 1277 1151 1207 794 994 602 -428 -335 -363 -25 150 678 -970 -730 -466 -411 -99 51 -78 -443 144 -106 388 497 373 442 -142 -383 -1029 -332 -410 -171 139 288 812 901 1029 186 473 -84 233 221 82 -169 -115 116 -497 -119 -149 -49 122 55 -167 -119 -535 132 -679 114 -6 427 -358 20 255 -201 219 -67 114 65 196 -210 -67 -41 -239 161 281 166 8 -150 -316 6 -297 191 -21 141 68 -51 187 144 31 -294 128 -434 -460 -434 -321 -302 -813 191 -450 42 -340 535 42 23 416 299 363 82 322 34 501 -21 862 525 430 17 -47 487 -262 747 3 107 133 -131 -15 -158 316 38 540 105 -56 -694 -646 -1138 -893 -632 -573 -323 -149 -71 -260 703 274 1088 957 1047 760 1059 715 -552 -442 -463 -30 166 734 -1116 -889 -593 -548 -140 77 -126 -746 242 -174 596 723 532 642 -218 -616 -1709 -546 -657 -266 208 415 1121 1231 1475 291 789 -148 421 415 162 -350 -245 252 -1093 -259 -313 -100 239 SS 20221114T122645.1Z 8353.518578 456 1 49.03 2 73.32 199.21 89.67 312.83 0.00 1 0.00 1 0 25 3.404e-02 4.678e-03 2.048e-02 1.292e-03 4.308511e-01 6.674247e-04 5.643414e-03 -6.000000e+00 1.980672e-02 220.77 -2.00 3.88 -2.00 319.85 0.00e+00 4.570153e-04 1.823022e-04 2.591188e-04 -6.000000e+00 8.155131e-04 270.96 -2.00 20.00 -2.00 319.55 0.00e+00 3.431 0.001 302.00 328.00 3 1.9265e+00 1.8454e-03 4.1473e-02 -6.0000e+00 4.8792e-02 1.3152e-02 2.1687e-03 2.4170e-02 -6.0000e+00 5.3221e-02 1.7493e-02 1.9512e-03 1.2747e-02 -6.0000e+00 3.1445e-02 -1.6045e-02 1.0474e-03 4.0261e-03 -6.0000e+00 1.3289e-02 1.5714e-03 -6.1390e-04 4.1305e-05 5.1191e-05 -6.0000e+00 1.0195e-03 -4.2956e-03 0.0000e+00 10 0 0 10 0 0 99.97 22.05 0.15 -0.00430 -0.00891 539 106 1 5 0 90.891 25.17 20.00 22.05 15.73 30.3 1023.90 -10735 7893 -12628 14189 -14618 -11280 9646 -14224 5316 -8514 8512 -4239 4274 -3180 -747 250 -1421 3548 -2757 5464 -2802 1973 -2285 1206 -545 -894 40 -1372 2665 104 5220 143 2372 -3113 1479 162 -998 -149 -1048 -163 -1932 -1378 -2229 -1208 -1541 -709 -574 -1121 -244 -435 1246 -287 1253 103 831 254 237 -3 215 1675 665 1969 1024 726 -221 521 495 398 1290 542 96 -557 -155 -395 48 145 254 405 458 211 -709 -913 -1302 -914 -1251 -670 -349 -160 -93 132 591 505 1356 1402 1253 786 820 620 -412 -418 -290 -210 218 507 -652 -665 -677 -359 -79 74 -67 -261 -24 -62 294 594 614 312 23 -489 -770 -214 -455 -316 10 186 632 1002 547 366 281 29 152 119 -11 -256 127 45 -364 -211 -144 7 195 -198 139 -270 243 -292 -225 165 -327 113 -226 200 -122 123 -119 -31 12 -75 192 -170 325 -187 127 -159 86 -41 -71 3 -108 206 8 432 13 242 -356 160 18 -117 -20 -172 -31 -406 -311 -530 -291 -377 -173 -141 -277 -61 -112 336 -86 400 36 301 96 92 -1 83 628 257 802 464 360 -115 264 240 191 649 307 60 -374 -105 -260 29 81 129 197 232 121 -468 -680 -1066 -796 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