File name: Pandora21s1_Bremen_20230201_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T204407.3Z 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_20230201_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: 20230201 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 20230201T130429.3Z 8432.544783 402 1 36.14 2 72.59 201.59 80.22 58.58 0.00 1 0.00 1 0 17 2.611e-01 1.027e-02 1.781e-01 6.609e-03 6.108817e-01 3.547669e-03 7.770517e-03 -6.000000e+00 1.543222e-01 222.56 -2.00 3.88 -2.00 320.42 0.00e+00 2.593884e-03 1.136505e-03 4.813951e-04 -6.000000e+00 6.468381e-03 265.80 -2.00 20.00 -2.00 320.14 0.00e+00 3.295 0.001 302.00 328.00 3 4.5242e+00 1.0036e-02 4.7540e-02 -6.0000e+00 3.8287e-01 2.0027e-01 1.2514e-02 3.4641e-02 -6.0000e+00 4.1771e-01 -9.6257e-02 1.3045e-02 1.8857e-02 -6.0000e+00 2.4462e-01 2.7607e-02 6.8501e-03 6.1379e-03 -6.0000e+00 1.0334e-01 9.4634e-05 -8.5660e-04 1.9960e-04 7.7358e-05 -6.0000e+00 7.9961e-03 -9.8466e-03 0.0000e+00 12 9 9 12 1 1 99.98 22.13 0.37 -0.00985 -0.01628 21 6 1 5 0 1634.519 25.28 20.00 22.13 9.63 30.9 999.75 900000 -61347 -26682 -74924 -57328 -51686 -112132 900000 -109252 900000 -84693 97610 -85789 -11548 32816 -28550 116308 -13405 55204 2323 9986 -59798 19116 -2473 -6782 -10989 -12856 -7715 -20235 20550 -18406 802 -9608 22816 11208 2958 -4706 -2274 8489 -1556 13587 -7963 14175 -2991 3128 7534 4298 3817 98 1382 -27 4356 -225 5024 2639 607 -1054 1484 2280 -761 4018 -661 4364 -1700 5455 -2674 1513 2606 1844 -682 342 944 -1723 328 -3952 536 -330 413 -2288 -1595 -583 -1521 112 -1343 1621 -2947 -415 -351 1440 500 -818 1752 -426 2786 -781 612 615 108 902 -1117 -240 -923 789 -287 351 -1085 137 -1179 -589 69 -798 643 -926 145 -138 1039 27 355 300 -173 657 -354 634 -639 972 -197 546 1305 492 -344 -199 -229 594 442 -221 -158 -346 321 -527 444 -541 -650 594 900000 -746 -258 -1101 -686 -573 -2199 900000 -2554 900000 -1827 629 -2451 -213 501 -873 1128 -441 1070 75 310 -3495 569 -95 -289 -511 -621 -352 -1022 753 -1075 46 -687 1311 716 201 -363 -197 792 -188 1610 -1250 1901 -486 487 1143 685 625 17 253 -5 927 -55 1254 714 174 -316 436 652 -220 1123 -207 1443 -660 2113 -1122 598 1026 780 -330 180 524 -987 178 -2067 245 -140 170 -1027 -810 -339 -1010 80 -1043 1293 -2592 -374 -326 1324 453 -711 1392 -328 2064 -638 552 629 125 1128 -1464 -303 -1081 835 -296 372 -1229 161 -1472 -782 99 -1257 1061 -1578 241 -219 1556 40 532 468 -283 1077 -574 985 -971 1406 -277 738 1748 707 -548 -345 -421 1132 880 -465 -348 -784 733 -1215 999 -1178 -1345 1166 SS 20230201T130918.9Z 8432.548135 405 1 48.56 2 72.86 202.76 79.62 59.44 0.00 1 0.00 1 0 17 4.700e-01 9.277e-03 2.096e-01 4.252e-03 6.236803e-01 2.301824e-03 7.865107e-03 -6.000000e+00 2.756963e-01 222.56 -2.00 3.88 -2.00 320.72 0.00e+00 2.375637e-03 7.905414e-04 5.642082e-04 -6.000000e+00 1.146751e-02 265.80 -2.00 20.00 -2.00 320.43 0.00e+00 3.344 0.001 302.00 328.00 3 3.1373e+00 6.6440e-03 4.8562e-02 -6.0000e+00 6.8174e-01 5.5985e-02 8.5402e-03 3.5731e-02 -6.0000e+00 7.4284e-01 3.0324e-02 9.3324e-03 1.9813e-02 -6.0000e+00 4.3851e-01 -2.1764e-02 4.8323e-03 6.5846e-03 -6.0000e+00 1.8730e-01 3.7363e-04 -7.5895e-04 1.3094e-04 8.4884e-05 -6.0000e+00 1.4174e-02 -1.1573e-02 0.0000e+00 11 8 0 10 0 0 99.99 22.13 0.18 -0.01157 -0.01728 485 95 1 5 0 100.103 25.28 19.99 22.13 9.94 31.0 1002.29 900000 -124092 900000 26452 -21771 331683 -164204 52513 -113271 164024 -119239 263844 -13670 44556 20654 -5384 -697 -13082 51066 -1587 20105 -32270 58751 -17568 28212 11917 -1941 20341 -1520 23451 -23932 34805 3853 17992 3260 6783 6023 10169 22782 -3699 10382 -8199 9967 -4560 4723 -6446 9197 4855 -1552 3172 -6485 7361 -1382 4185 -3585 2465 397 -453 665 -4254 3036 -1219 4029 -1856 3539 -253 1473 3221 -233 356 -2107 1357 -1779 1285 -1020 2214 -1375 617 433 -461 110 -1608 680 -1874 -703 -1958 -654 -287 -216 -543 339 1750 330 2047 368 1507 846 799 -550 -380 -141 -433 1423 -45 69 -778 93 -1302 141 -6 -512 -142 -590 106 -485 928 583 754 630 -264 -496 -102 212 -408 261 -627 1356 669 849 89 -286 -119 -404 323 -253 -54 -226 652 -613 346 -195 -338 318 900000 -1922 900000 130 -156 1375 -3796 231 -2160 680 -2742 1094 -180 451 306 -114 -16 -359 916 -45 499 -1220 1136 -651 787 397 -74 650 -57 763 -1260 1330 212 951 195 393 371 686 1629 -383 1074 -1073 1177 -629 613 -940 1200 674 -237 492 -1184 1310 -290 904 -881 599 101 -117 168 -1107 751 -335 1171 -631 1226 -91 516 1123 -89 152 -1017 673 -915 620 -469 903 -536 231 173 -212 58 -982 448 -1354 -531 -1587 -551 -249 -189 -464 273 1302 237 1436 280 1278 823 881 -673 -479 -172 -487 1440 -45 70 -847 105 -1579 181 -8 -795 -234 -1002 176 -769 1385 854 1122 980 -432 -823 -165 330 -618 378 -882 1807 896 1215 143 -505 -223 -799 666 -552 -125 -536 1562 -1491 819 -444 -729 650 SS 20230201T131423.6Z 8432.551662 408 1 17.41 2 73.16 203.99 78.98 60.34 0.00 1 0.00 1 0 17 1.779e-01 5.889e-03 1.964e-01 4.250e-03 6.300157e-01 2.250619e-03 8.027157e-03 -6.000000e+00 1.047698e-01 222.56 -2.00 3.88 -2.00 320.27 0.00e+00 2.048984e-03 7.081750e-04 4.813188e-04 -6.000000e+00 4.321344e-03 265.80 -2.00 20.00 -2.00 319.99 0.00e+00 3.400 0.001 302.00 328.00 3 3.4784e+00 6.3248e-03 4.9014e-02 -6.0000e+00 2.5889e-01 1.4927e-01 7.8839e-03 3.5700e-02 -6.0000e+00 2.8207e-01 -5.3897e-02 8.3084e-03 1.9376e-02 -6.0000e+00 1.6609e-01 6.9364e-03 4.3791e-03 6.2649e-03 -6.0000e+00 6.9889e-02 2.4414e-04 -7.7378e-04 1.2423e-04 7.7347e-05 -6.0000e+00 5.3318e-03 -9.9685e-03 0.0000e+00 12 1 1 12 1 1 99.96 22.13 0.18 -0.00997 -0.01578 19 11 1 5 0 860.176 25.28 20.00 22.13 10.40 30.9 1004.00 -34252 92315 26180 133399 -69217 900000 23590 -4438 -32744 -30593 1998 -4402 -7441 -37532 21730 -20933 -13508 -30261 2763 -16963 -15910 15327 -18608 10388 -22507 11188 -20920 18204 -14989 4581 12654 -6850 7571 -12702 -839 -4748 7824 -7345 3574 -4720 -940 -1179 -5471 589 -4939 1942 -5347 4382 -3239 2988 1531 2714 3207 482 2856 1019 2084 -438 544 2672 2526 1209 907 403 -993 2002 -308 993 686 1288 332 183 -520 -101 903 -1273 1634 -1834 2060 -1034 364 -148 -1606 -1375 -1289 -234 -517 -23 -265 1240 278 1233 2 131 637 -219 822 316 98 -559 -141 -315 -387 259 -1084 -347 -704 -224 -133 152 -318 -95 162 -84 89 21 1038 -94 312 -516 -55 -128 -37 -73 -96 104 785 1253 -133 176 -71 353 228 192 -59 -389 97 -259 199 -258 106 -195 -143 -237 383 135 553 -784 900000 123 -33 -347 -345 18 -47 -97 -784 333 -546 -373 -1063 78 -603 -579 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