File name: Pandora21s1_Bremen_20221216_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T200141.7Z 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_20221216_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: 20221216 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 20221216T100754.4Z 8385.422157 373 1 49.36 2 78.01 163.04 73.90 256.14 0.00 1 0.00 1 0 25 2.399e-01 4.696e-03 6.854e-02 1.336e-03 6.534554e-01 7.146558e-04 8.170634e-03 -6.000000e+00 1.393105e-01 219.98 -2.00 3.88 -2.00 320.97 0.00e+00 2.415277e-03 2.659660e-04 6.875400e-04 -6.000000e+00 5.750767e-03 267.46 -2.00 20.00 -2.00 320.67 0.00e+00 4.670 0.002 302.00 328.00 3 6.5468e-01 2.0918e-03 5.8924e-02 -6.0000e+00 3.4261e-01 8.2545e-02 2.8725e-03 3.7757e-02 -6.0000e+00 3.7378e-01 -3.9019e-02 3.3885e-03 2.1734e-02 -6.0000e+00 2.2097e-01 1.1932e-03 1.7185e-03 7.4846e-03 -6.0000e+00 9.3636e-02 1.3218e-03 -9.4053e-04 4.0611e-05 9.6021e-05 -6.0000e+00 7.1821e-03 -1.0754e-02 0.0000e+00 10 0 0 10 0 0 31.07 21.92 0.23 -0.01075 -0.01782 490 96 1 5 0 100.704 25.07 19.98 21.92 6.14 29.4 1017.50 -125053 -66751 -110612 -65437 -76755 -76642 -88033 -66246 -53328 -72226 -56355 -46528 -27717 -27984 975 -31977 -1861 -13872 -13995 -13388 -6641 -9806 -19136 -1029 -14451 2557 -11245 -8059 -8519 -3273 -1386 -7627 -2342 -6425 715 -4424 3225 -3630 543 41 -2582 316 -1321 1652 -446 1388 1857 2109 -180 1247 1706 764 2443 368 1014 479 478 -734 129 890 800 1179 1321 2069 202 1395 -355 1381 1086 975 311 -199 -53 -340 -330 -127 1200 10 556 -205 -529 -1120 -1651 -1325 -1215 -530 -603 -206 -96 331 591 1237 986 1198 1214 378 1017 421 -209 -122 -200 -89 526 351 -784 -919 -930 -370 -159 20 -226 -280 -176 -99 185 666 809 505 65 -562 -669 -282 -191 -264 428 69 524 1118 466 131 97 29 67 208 -79 -250 4 81 -300 -166 -87 -32 235 -904 -324 -917 -349 -436 -427 -584 -400 -354 -582 -421 -358 -220 -288 10 -534 -27 -230 -255 -259 -125 -194 -432 -21 -369 59 -307 -212 -225 -87 -42 -296 -93 -292 31 -198 143 -201 35 3 -238 29 -130 164 -46 145 198 232 -21 156 233 118 412 69 203 101 105 -164 28 188 172 272 343 601 65 446 -114 445 378 384 138 -94 -25 -156 -140 -49 419 4 207 -89 -271 -619 -1023 -881 -858 -395 -475 -167 -78 263 444 864 656 797 873 312 965 460 -254 -154 -244 -100 531 340 -797 -993 -1061 -446 -207 26 -340 -455 -295 -163 290 988 1173 751 102 -926 -1118 -458 -298 -398 618 103 749 1592 722 214 176 56 141 431 -175 -584 9 200 -744 -404 -202 -70 515 SS 20221216T101528.3Z 8385.427411 377 1 49.80 2 77.69 164.78 75.00 257.67 0.00 1 0.00 1 0 25 2.938e-01 6.142e-03 1.480e-01 3.170e-03 6.416929e-01 1.706007e-03 8.075337e-03 -6.000000e+00 1.705805e-01 219.98 -2.00 3.88 -2.00 321.02 0.00e+00 1.682422e-03 6.388559e-04 6.798284e-04 -6.000000e+00 7.041890e-03 267.46 -2.00 20.00 -2.00 320.72 0.00e+00 4.559 0.002 302.00 328.00 3 2.0024e+00 5.0474e-03 5.7761e-02 -6.0000e+00 4.1951e-01 6.3429e-02 6.8369e-03 3.7148e-02 -6.0000e+00 4.5770e-01 -1.0298e-02 7.9054e-03 2.1240e-02 -6.0000e+00 2.7058e-01 -7.6906e-03 4.0137e-03 7.2906e-03 -6.0000e+00 1.1464e-01 3.8550e-04 -9.7744e-04 9.8148e-05 9.6206e-05 -6.0000e+00 8.7954e-03 -1.0026e-02 0.0000e+00 10 0 0 10 0 0 99.88 21.92 0.15 -0.01003 -0.01737 262 51 1 5 0 189.850 25.07 20.01 21.92 7.36 30.3 1025.46 -166485 -95472 -103643 -101305 -75916 -88167 -69174 -85446 1578 -129749 46956 -77948 -22162 4511 -2518 1199 -17863 44109 -40997 37601 -12552 15167 -14883 -14157 -6110 -22416 1644 -3915 20252 -15750 -2575 -9001 11956 372 10797 10803 -2130 8610 -3480 5430 -6246 2619 -2246 3536 -2896 -1207 3175 -4986 8209 -752 6679 2128 4754 1634 2597 -203 -308 3510 -262 2617 -422 4348 2031 1605 -160 111 726 80 319 -267 1079 -707 497 -1128 215 378 -538 946 -534 768 -1428 -5 -2034 -460 -1114 -1062 -698 -658 -46 -120 1014 311 1587 567 1301 249 1262 625 -482 -148 -443 502 76 520 -1159 -537 -1119 -328 164 -176 59 -587 118 -57 356 681 414 297 -98 -387 -623 98 -383 44 -126 295 565 1024 575 137 191 -138 201 -94 248 -357 243 118 -537 -196 -189 177 203 -2078 -762 -948 -914 -528 -681 -493 -781 8 -2080 180 -955 -208 42 -31 16 -329 529 -1052 541 -278 280 -360 -370 -162 -723 45 -111 467 -514 -85 -356 463 17 454 452 -105 447 -241 403 -583 246 -235 362 -323 -135 349 -615 930 -97 879 328 791 298 503 -43 -67 740 -56 537 -91 959 516 460 -49 34 226 25 107 -102 451 -319 224 -497 87 141 -187 318 -196 313 -698 -3 -1280 -307 -775 -786 -543 -530 -37 -95 767 222 1060 383 940 202 1169 666 -574 -177 -528 544 75 491 -1155 -565 -1248 -386 208 -241 90 -967 198 -94 559 1014 605 443 -155 -639 -1044 159 -601 67 -188 421 778 1404 856 223 347 -272 407 -200 561 -859 588 292 -1341 -490 -450 395 431 SS 20221216T102056.2Z 8385.431206 380 1 11.24 2 77.49 166.05 75.80 258.76 0.00 1 0.00 1 0 25 2.238e-01 6.707e-03 1.471e-01 3.895e-03 6.305017e-01 2.044652e-03 8.060481e-03 -6.000000e+00 1.299305e-01 219.98 -2.00 3.88 -2.00 320.46 0.00e+00 2.981299e-03 6.794903e-04 5.239974e-04 -6.000000e+00 5.363391e-03 267.46 -2.00 20.00 -2.00 320.18 0.00e+00 4.489 0.002 302.00 328.00 3 2.0709e+00 5.8018e-03 5.6545e-02 -6.0000e+00 3.1954e-01 1.1607e-01 7.3606e-03 3.5697e-02 -6.0000e+00 3.4861e-01 -8.6192e-02 7.9412e-03 1.9610e-02 -6.0000e+00 2.0609e-01 2.7326e-02 4.1479e-03 6.4548e-03 -6.0000e+00 8.7335e-02 3.8391e-04 -1.1216e-03 1.1421e-04 8.3031e-05 -6.0000e+00 6.6981e-03 -1.1172e-02 0.0000e+00 12 9 1 12 1 1 -41.23 21.92 0.20 -0.01117 -0.01960 23 21 1 5 0 461.375 25.07 19.98 21.92 8.08 29.8 1027.30 -8493 -102330 -93368 -94824 -89119 -47484 -80950 15821 -100341 -13396 -64294 8711 -22778 -19303 -35842 -37219 -23920 -22393 5659 -17014 4790 -14875 -2767 -36255 -10004 21986 -3056 3681 -20957 10386 -2500 17061 6032 493 -3605 3646 -565 -6534 7888 -5859 -1353 -4331 -276 -1340 992 5014 1711 399 -4132 2936 -1503 5155 3190 1711 1436 3475 1998 -86 1229 -2791 1907 880 1944 1174 1844 1588 2188 899 1403 1088 -190 1590 -1158 668 236 121 122 -1076 -71 -1029 111 -1533 -994 -1815 -446 -1670 -838 -371 -1041 472 430 500 -63 693 861 810 853 335 -406 -450 238 -728 945 331 -526 -669 -488 -516 91 291 -231 158 -391 -36 -211 724 1072 573 -25 -695 -434 -172 166 -406 392 -88 690 1018 623 162 -336 160 246 275 -474 -431 50 225 -114 -38 -151 -194 96 -39 -1336 -1219 -1261 -1058 -385 -903 80 -1614 -112 -901 71 -292 -307 -801 -1023 -663 -643 142 -535 133 -480 -82 -1607 -369 663 -115 128 -929 355 -112 749 326 31 -236 219 -38 -537 680 -659 -166 -601 -39 -198 146 724 262 64 -721 508 -297 1063 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