File name: Pandora21s1_Bremen_20241014_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250501T014727.9Z 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_20241014_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: 20241014 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 20241014T105918.1Z 9053.457848 281 1 5.71 2 61.55 176.80 129.48 46.98 0.00 1 0.00 1 0 25 1.362e-02 6.538e-03 1.093e-02 4.108e-03 2.723996e-01 2.136998e-03 3.764619e-03 -6.000000e+00 8.051488e-03 224.27 -2.00 3.88 -2.00 316.84 0.00e+00 3.422536e-04 2.549139e-04 5.616753e-05 -6.000000e+00 3.278046e-04 275.36 -2.00 20.00 -2.00 316.54 0.00e+00 2.089 0.000 302.00 328.00 3 4.4825e+00 5.5507e-03 2.5812e-02 -6.0000e+00 1.9986e-02 2.4964e-02 6.1879e-03 1.5438e-02 -6.0000e+00 2.1744e-02 -4.6824e-03 3.7136e-03 7.7578e-03 -6.0000e+00 1.2808e-02 -3.8747e-04 1.8166e-03 2.2588e-03 -6.0000e+00 5.4146e-03 5.4535e-04 -6.5231e-04 1.2691e-04 3.0216e-05 -6.0000e+00 4.1030e-04 2.1928e-03 0.0000e+00 12 9 1 12 1 1 -52.44 22.87 0.29 0.00219 -0.00271 3 7 1 5 0 1425.128 25.90 20.00 22.87 20.23 35.2 1035.51 760 -2130 -108 -1934 7417 -6361 -4146 -2218 -2434 -1449 -3248 313 -1351 1897 -313 3890 435 918 76 -946 -109 1013 -135 1805 428 -661 1047 1418 3164 -528 -127 2183 -1195 751 219 578 -2765 -1205 -1926 -1378 -234 -375 -1192 -841 -29 -564 -931 -179 41 46 779 375 -162 534 631 1069 126 961 430 438 996 921 622 -752 -8 899 1306 963 1224 1114 -252 -538 -711 -213 -77 750 216 721 6 -683 -951 -1404 -1161 -784 -339 -421 -69 -703 -272 -118 175 940 1101 1283 885 780 353 -197 -583 -472 -863 -709 -76 -477 -1009 -808 -392 306 1057 -81 370 -330 -205 579 250 790 -94 299 -484 -389 -762 135 -301 404 -44 978 1212 650 557 233 403 392 -262 -62 130 -491 81 -256 -328 412 -535 -401 900000 100 -304 -15 -254 836 -816 -565 -328 -387 -234 -542 54 -267 411 -76 973 117 254 22 -281 -32 300 -42 577 144 -226 345 445 952 -167 -43 768 -450 275 78 213 -1159 -570 -1035 -804 -142 -234 -760 -536 -18 -357 -582 -110 25 29 511 258 -116 392 472 810 96 726 324 333 784 764 542 -673 -7 742 1043 785 1062 1033 -245 -531 -694 -200 -68 620 171 571 5 -625 -932 -1455 -1247 -871 -392 -505 -85 -875 -334 -141 197 1001 1130 1329 964 907 438 -257 -773 -613 -1075 -848 -89 -583 -1289 -1063 -529 424 1507 -121 559 -499 -301 811 336 1038 -125 410 -693 -571 -1127 196 -431 562 -59 1282 1562 856 763 332 588 580 -396 -97 208 -806 135 -429 -549 677 -865 -637 900000 SS 20241014T110831.8Z 9053.464257 284 1 28.03 2 61.51 179.40 128.46 49.44 0.00 1 0.00 1 0 17 1.370e-02 5.945e-03 9.990e-03 2.835e-03 2.756304e-01 1.437517e-03 3.689378e-03 -6.000000e+00 7.956828e-03 224.27 -2.00 3.88 -2.00 317.60 0.00e+00 3.699004e-04 2.086388e-04 7.207683e-05 -6.000000e+00 3.278937e-04 275.36 -2.00 20.00 -2.00 317.27 0.00e+00 2.086 0.000 302.00 328.00 3 5.1129e+00 3.7770e-03 2.5775e-02 -6.0000e+00 1.9736e-02 4.3793e-02 4.2505e-03 1.5411e-02 -6.0000e+00 2.1604e-02 -8.5230e-03 2.6357e-03 7.7153e-03 -6.0000e+00 1.2735e-02 6.4383e-04 1.3117e-03 2.2136e-03 -6.0000e+00 5.2315e-03 2.8934e-04 -6.0056e-04 8.8924e-05 2.8051e-05 -6.0000e+00 4.1192e-04 1.4199e-03 0.0000e+00 12 1 1 12 1 1 95.82 22.87 0.24 0.00142 -0.00309 10 4 1 5 0 2547.331 25.90 20.00 22.87 20.19 35.4 1035.61 -5988 3127 -3892 2715 2287 -1505 -4966 -2658 1895 -3119 1518 -3832 -1651 -2098 681 439 -1009 1767 -1143 1638 1106 916 -1769 4039 -212 -455 367 1077 1340 1199 1567 -2097 -1595 673 201 -3777 -1562 -2235 -1233 -570 -794 -910 -546 90 -433 -62 -1064 -197 355 926 641 890 1033 13 1809 687 131 894 392 1160 753 1783 865 547 424 487 202 779 475 -64 186 -707 -404 -276 -426 -81 87 -38 -210 -865 -1100 -1629 -1673 -1039 -559 -190 282 103 -212 25 415 389 1272 742 892 959 523 -1 -509 -550 -582 -357 427 -319 -892 -166 -581 -150 -98 205 -309 6 64 332 368 255 375 406 -399 -548 -498 -215 -221 218 277 1014 927 996 592 670 -190 223 -100 -65 332 -20 379 -554 23 -365 -500 -109 -254 -606 307 -403 245 193 -132 -491 -286 210 -372 176 -505 -241 -352 124 86 -209 371 -255 366 250 210 -431 983 -56 -122 95 263 316 290 405 -604 -479 195 57 -1148 -522 -878 -554 -282 -417 -494 -300 49 -239 -34 -576 -104 187 501 368 538 653 9 1203 469 90 607 265 789 537 1345 695 451 340 369 148 580 384 -56 171 -665 -373 -244 -352 -61 62 -28 -162 -740 -1024 -1624 -1746 -1128 -636 -225 345 127 -259 30 457 401 1247 739 942 1094 646 -1 -682 -719 -722 -421 495 -386 -1141 -219 -795 -212 -145 314 -487 9 97 475 501 339 503 565 -585 -830 -758 -322 -324 309 379 1335 1197 1314 821 972 -285 340 -156 -105 553 -35 662 -982 40 -633 -846 -180 -419 SS 20241014T113349.0Z 9053.481817 303 1 4.82 2 61.71 186.51 125.47 55.88 0.00 1 0.00 1 0 17 1.289e-02 6.318e-03 8.357e-03 3.204e-03 2.769426e-01 1.634610e-03 3.692185e-03 -6.000000e+00 7.483846e-03 224.27 -2.00 3.88 -2.00 316.86 0.00e+00 1.447368e-04 1.975707e-04 5.930505e-05 -6.000000e+00 3.083645e-04 275.36 -2.00 20.00 -2.00 316.53 0.00e+00 2.100 0.000 302.00 328.00 3 3.9494e+00 4.2525e-03 2.5860e-02 -6.0000e+00 1.8563e-02 2.4360e-02 4.7744e-03 1.5366e-02 -6.0000e+00 2.0319e-02 -6.8213e-03 2.8313e-03 7.6780e-03 -6.0000e+00 1.1977e-02 1.1160e-03 1.3498e-03 2.1940e-03 -6.0000e+00 4.9210e-03 9.2136e-04 -3.5951e-04 9.8790e-05 2.8223e-05 -6.0000e+00 3.8738e-04 5.2979e-04 0.0000e+00 12 1 1 12 1 1 88.19 22.87 0.20 0.00053 -0.00217 5 12 1 5 0 800.967 25.90 20.00 22.87 19.90 35.5 1033.27 -5916 1736 -5532 2284 -1179 244 -2582 2826 -2943 -1120 -1901 -2267 -4234 -3070 -256 -2141 2210 -915 905 2008 160 294 -345 1892 -786 258 -1155 1631 2134 1082 1942 673 1395 -1811 534 -520 -18 -1638 78 -896 -699 -1002 479 -27 -931 -744 -1338 256 -28 1531 893 -159 1105 1115 1399 506 863 310 1039 1058 1366 1271 -222 234 461 411 -785 721 347 144 -626 -361 220 -426 -121 -687 18 356 408 -729 -1263 -1602 -1497 -1275 -1120 -492 -270 135 -368 176 -298 860 1192 1043 682 644 681 -256 -259 -433 -334 -367 763 -644 -471 -445 -333 53 28 180 -241 -405 -152 292 517 662 742 240 -220 -301 -389 -337 248 -73 425 853 1488 815 420 388 -278 -90 102 154 1 -82 273 -441 -211 -317 -332 -510 13 -841 243 -814 293 -146 30 -354 408 -478 -183 -319 -409 -871 -704 -63 -570 591 -260 261 588 48 89 -108 612 -270 89 -392 517 656 343 650 243 520 -683 193 -196 -8 -783 42 -522 -427 -630 302 -17 -595 -472 -840 157 -17 957 586 -110 787 816 1042 385 657 235 779 802 1071 1050 -194 207 398 340 -636 589 303 134 -609 -355 213 -400 -107 -573 14 283 343 -666 -1238 -1657 -1604 -1414 -1293 -587 -330 166 -449 207 -335 912 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