File name: Pandora21s1_Bremen_20220321_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T101806.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 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_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20220321_L1_smca1c1d20201116p1-8.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: 20220321 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]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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 20220321T071314.6Z 8115.300864 266 1 23.47 2 74.90 110.56 95.04 253.18 0.00 1 0.00 1 0 25 1.879e-01 6.074e-03 1.617e-01 4.430e-03 5.830089e-01 2.357179e-03 7.408750e-03 -6.000000e+00 1.111089e-01 225.50 -2.00 3.88 -2.00 320.42 0.00e+00 1.478159e-03 7.573960e-04 4.536684e-04 -6.000000e+00 4.499654e-03 269.01 -2.00 20.00 -2.00 320.12 0.00e+00 3.767 0.001 302.00 328.00 3 3.5908e+00 6.7198e-03 5.0234e-02 -6.0000e+00 2.7652e-01 8.0568e-02 8.3653e-03 3.3647e-02 -6.0000e+00 3.0085e-01 -4.6764e-02 8.7575e-03 1.8080e-02 -6.0000e+00 1.7716e-01 6.7186e-03 4.5837e-03 5.7778e-03 -6.0000e+00 7.3973e-02 1.7183e-04 -1.1910e-03 1.3558e-04 7.3151e-05 -6.0000e+00 5.6352e-03 -1.4524e-02 -6.5468e-06 12 1 1 12 1 1 99.91 22.28 0.21 -0.01452 -0.02347 20 9 1 5 0 1107.276 25.28 19.99 22.28 13.32 28.1 1025.71 -131868 -171 -41491 39988 -13440 -81769 -28083 -58767 -5978 -64712 26982 -81781 -10964 -31033 -7068 6753 10902 28533 -14021 -634 -22416 8384 4030 14790 3664 -8708 -17000 -15736 -6095 -13485 12335 -9239 1919 -8348 -29 -6747 -578 -8106 -4249 4385 -3266 605 -1149 723 334 3222 26 4106 2128 849 4156 -59 2346 -1317 894 1926 914 404 799 1922 -2085 1578 821 2069 344 404 1525 989 1388 1672 -389 77 912 -240 -1149 679 730 516 -657 400 -1003 -1258 -1852 -986 -1226 -310 -677 -209 198 -48 1084 525 1331 484 729 562 519 219 -302 -125 -134 -561 -130 380 -898 -566 -804 -464 -115 -44 259 -568 -21 122 426 392 450 499 -235 -617 -710 275 -242 165 -91 218 572 997 975 261 -117 249 188 96 -120 -252 112 59 -278 82 -114 -321 -66 -2319 -1 -409 189 -98 -1073 -243 -748 -53 -1050 207 -1815 -155 -642 -144 142 247 605 -466 -20 -875 253 131 468 138 -388 -834 -754 -265 -655 535 -564 120 -616 -2 -489 -42 -738 -448 504 -456 88 -179 114 54 512 4 674 369 157 811 -13 561 -352 248 553 272 122 236 555 -637 500 291 798 143 167 611 402 603 809 -211 44 517 -133 -599 318 318 221 -304 208 -606 -857 -1384 -777 -1023 -271 -622 -198 187 -44 946 433 1041 380 610 524 545 256 -382 -161 -167 -655 -141 401 -997 -659 -981 -592 -155 -65 408 -944 -35 201 668 590 669 755 -374 -1019 -1186 450 -386 255 -137 316 805 1402 1458 427 -207 462 361 192 -253 -552 251 134 -635 184 -247 -670 -134 SS 20220321T071957.4Z 8115.305525 270 1 50.14 2 73.96 112.00 96.00 254.44 0.00 1 0.00 1 0 25 1.018e-01 4.468e-03 4.074e-02 1.318e-03 5.522193e-01 7.019214e-04 6.992183e-03 -6.000000e+00 6.025640e-02 225.50 -2.00 3.88 -2.00 320.41 0.00e+00 1.345442e-03 2.234146e-04 4.312740e-04 -6.000000e+00 2.439272e-03 269.01 -2.00 20.00 -2.00 320.11 0.00e+00 3.560 0.001 302.00 328.00 3 2.0958e+00 1.9840e-03 4.7485e-02 -6.0000e+00 1.4997e-01 3.2239e-02 2.4662e-03 3.1810e-02 -6.0000e+00 1.6313e-01 -2.4821e-02 2.5806e-03 1.7154e-02 -6.0000e+00 9.6063e-02 -1.0311e-03 1.3530e-03 5.5176e-03 -6.0000e+00 4.0133e-02 9.8932e-04 -4.7860e-04 4.0832e-05 6.9792e-05 -6.0000e+00 3.0539e-03 -1.5890e-02 8.5232e-05 10 0 0 10 0 0 61.95 22.28 0.23 -0.01589 -0.01949 263 52 1 5 0 190.620 25.28 19.99 22.28 13.66 28.4 1027.21 -20476 -32717 -22815 -1277 -36701 -34129 -45670 -55155 -35946 -32340 -28360 -17739 -18263 -14968 -2132 -7629 -4142 3045 -6048 1780 -7501 823 -8181 93 -1089 -4358 -3833 242 -5311 -3641 -1920 -4023 4959 299 -1063 190 -233 -598 -653 -1744 -3400 -1507 -2541 189 -729 -847 -496 -128 484 -461 1296 984 1363 312 821 669 1195 -91 263 306 525 1241 1232 1041 301 807 457 833 761 450 253 -327 614 -85 277 90 651 356 710 -210 -376 -1103 -1679 -1221 -1070 -742 -493 -174 95 265 814 1080 934 1399 1310 488 630 479 -315 -274 -235 -294 158 222 -879 -655 -748 -282 -113 -69 -262 -251 -148 -32 241 537 559 297 10 -466 -451 -275 -268 -174 152 187 824 1063 455 249 155 43 111 197 -15 -98 41 105 -310 -254 -25 -102 -14 -148 -313 -213 -10 -369 -327 -523 -786 -479 -453 -407 -255 -291 -288 -45 -199 -118 89 -192 55 -265 27 -308 3 -45 -196 -175 10 -238 -167 -98 -245 314 21 -77 13 -18 -54 -71 -213 -479 -226 -406 30 -119 -141 -84 -22 85 -86 259 218 330 82 229 195 357 -28 78 90 157 397 440 412 127 335 185 339 333 223 139 -191 358 -48 144 42 282 151 321 -110 -229 -766 -1206 -934 -870 -641 -448 -163 90 243 698 860 754 1116 1046 443 653 562 -408 -364 -298 -343 168 232 -972 -768 -926 -368 -159 -100 -413 -420 -250 -53 374 785 802 439 16 -765 -754 -450 -424 -266 222 279 1179 1520 661 401 274 81 219 385 -31 -214 93 243 -724 -581 -54 -210 -27 SS 20220321T072552.5Z 8115.309636 273 1 50.03 2 73.14 113.28 96.84 255.55 0.00 1 0.00 1 0 25 7.258e-02 4.424e-03 2.921e-02 1.093e-03 5.289371e-01 5.784725e-04 6.763406e-03 -6.000000e+00 4.294793e-02 225.50 -2.00 3.88 -2.00 320.23 0.00e+00 1.142454e-03 1.762168e-04 3.853221e-04 -6.000000e+00 1.738598e-03 269.01 -2.00 20.00 -2.00 319.94 0.00e+00 3.396 0.001 302.00 328.00 3 1.9595e+00 1.6364e-03 4.5416e-02 -6.0000e+00 1.0689e-01 2.6759e-02 1.9876e-03 3.0448e-02 -6.0000e+00 1.1627e-01 -2.2767e-02 1.9873e-03 1.6173e-02 -6.0000e+00 6.8469e-02 -8.5407e-04 1.0496e-03 5.0971e-03 -6.0000e+00 2.8605e-02 1.3618e-03 -4.5500e-04 3.3798e-05 6.4507e-05 -6.0000e+00 2.1767e-03 -1.6022e-02 7.7506e-05 10 0 0 10 0 0 16.68 22.28 0.21 -0.01602 -0.01944 328 64 1 5 0 152.466 25.28 19.99 22.28 13.90 28.3 1028.75 -17101 -17642 -20155 -13529 -38342 -10729 -47125 -19292 -14352 -20957 -7981 -23284 -6435 -10210 -1839 -11120 -2191 -5287 563 664 -2426 -842 -713 2558 -5721 -2145 -7786 -2073 -4911 282 220 999 1353 -2388 -437 -4149 -1223 -3158 -1088 -2417 -1777 -1836 -2244 175 -1138 480 -1298 412 -823 923 957 775 1210 1312 853 4 564 304 831 285 1443 901 1513 893 156 1067 361 1256 592 758 -215 195 -70 121 154 -89 593 -16 334 -711 -426 -1270 -1193 -1141 -1036 -623 -453 -104 -74 367 522 973 877 1077 864 772 964 266 -282 -431 -209 -312 293 253 -836 -663 -628 -259 -195 -15 -257 -238 -224 4 192 536 637 385 141 -586 -463 -159 -260 -167 162 200 770 1128 424 386 110 9 45 229 -129 -150 119 55 -236 -294 12 -181 62 -156 -188 -236 -147 -460 -104 -641 -245 -196 -305 -109 -408 -114 -232 -47 -339 -69 -187 20 25 -98 -34 -30 112 -294 -113 -441 -109 -260 15 13 67 103 -202 -36 -352 -108 -310 -127 -339 -281 -314 -405 32 -212 89 -249 79 -164 190 213 191 324 378 262 1 186 101 270 92 470 318 589 385 71 479 158 547 278 400 -119 113 -41 73 86 -45 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