File name: Pandora21s1_Bremen_20211129_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T093606.1Z 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_20211129_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: 20211129 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 20211129T100824.5Z 8003.422506 364 1 49.68 2 75.94 164.50 63.19 235.42 0.00 1 0.00 1 0 25 1.563e-01 4.693e-03 1.321e-01 2.302e-03 6.164843e-01 1.226701e-03 7.837911e-03 -6.000000e+00 9.066653e-02 220.34 -2.00 3.88 -2.00 320.71 0.00e+00 2.286253e-03 4.286047e-04 5.635540e-04 -6.000000e+00 3.742892e-03 269.30 -2.00 20.00 -2.00 320.42 0.00e+00 4.027 0.001 302.00 328.00 3 2.3649e+00 3.5555e-03 5.2780e-02 -6.0000e+00 2.2314e-01 9.8427e-02 4.6142e-03 3.5227e-02 -6.0000e+00 2.4357e-01 -2.8985e-02 5.1477e-03 1.9630e-02 -6.0000e+00 1.4396e-01 -9.7903e-04 2.6619e-03 6.5532e-03 -6.0000e+00 6.0779e-02 4.3938e-04 -8.5398e-04 7.0458e-05 8.6704e-05 -6.0000e+00 4.6804e-03 -1.5743e-02 4.6772e-05 10 0 0 10 0 0 99.97 22.01 0.21 -0.01574 -0.02216 187 37 1 5 0 265.623 25.17 20.01 22.01 11.28 27.4 1007.62 -19914 -76005 -5663 -75046 73578 -41005 21895 -46378 -36046 -22658 -69242 30539 14149 13191 -38665 22126 -16504 -1737 1807 -860 3252 -12500 17448 -8968 23061 -7776 -4951 6355 -3319 -2720 -9017 -2774 -3453 2267 -2720 4217 -6619 2225 1956 1418 398 -1358 -2230 -1755 1069 338 88 -509 2469 787 592 2875 213 990 -1041 846 93 59 590 764 2075 198 1269 577 920 -7 1113 -609 621 -110 311 -77 -396 650 -459 522 356 635 106 23 -888 -1040 -1303 -1964 -948 -1023 -20 -46 385 53 581 965 224 1407 450 708 587 989 -400 -47 75 -145 615 -40 -608 -1103 -156 -271 122 -76 -83 -256 -62 -57 50 942 491 596 -199 -527 -688 -105 -414 -245 121 -71 844 726 689 65 165 -70 -13 220 -93 -272 -9 156 -298 -60 -144 6 300 -93 -682 -30 -726 180 -284 94 -408 -299 -195 -944 188 127 141 -812 329 -384 -39 42 -20 82 -352 406 -274 595 -271 -172 195 -112 -96 -393 -126 -183 123 -155 224 -421 151 162 133 43 -163 -285 -230 139 45 12 -72 355 123 101 535 45 224 -257 214 24 16 151 193 526 55 394 190 322 -3 383 -217 235 -48 148 -39 -201 313 -206 210 140 246 45 10 -480 -643 -893 -1451 -736 -845 -18 -41 342 46 472 729 162 1008 352 628 600 1084 -488 -58 89 -168 643 -40 -650 -1258 -186 -325 158 -109 -132 -432 -106 -95 79 1406 723 899 -318 -880 -1162 -172 -654 -372 177 -100 1130 980 1008 107 300 -137 -26 451 -201 -627 -21 375 -724 -143 -324 13 606 SS 20211129T101338.8Z 8003.426143 368 1 48.93 2 75.74 165.74 63.85 236.64 0.00 1 0.00 1 0 25 1.451e-01 4.664e-03 6.084e-02 1.356e-03 6.088279e-01 7.180090e-04 7.684019e-03 -6.000000e+00 8.417114e-02 220.34 -2.00 3.88 -2.00 320.70 0.00e+00 1.676348e-03 2.506943e-04 5.565862e-04 -6.000000e+00 3.474575e-03 269.30 -2.00 20.00 -2.00 320.40 0.00e+00 3.973 0.001 302.00 328.00 3 1.4126e+00 2.0670e-03 5.2003e-02 -6.0000e+00 2.0715e-01 7.3042e-02 2.6851e-03 3.4647e-02 -6.0000e+00 2.2612e-01 -2.0096e-02 3.0004e-03 1.9372e-02 -6.0000e+00 1.3364e-01 -4.7220e-03 1.5524e-03 6.4893e-03 -6.0000e+00 5.6427e-02 1.2273e-03 -8.3607e-04 4.1578e-05 8.3785e-05 -6.0000e+00 4.3448e-03 -1.5685e-02 6.4669e-05 10 0 0 10 0 0 99.92 22.01 0.18 -0.01569 -0.02197 541 106 1 5 0 90.436 25.17 20.00 22.01 12.14 27.9 1012.29 8641 -67255 -25495 -62607 -29207 -7411 -89335 -11843 -73498 12098 -47861 -13306 -36948 -1996 -1875 -7017 -4730 -13836 10933 -5410 9444 -1138 2326 342 4658 -986 -11374 -2871 -12231 5348 -5733 6374 -3223 2195 -1330 1872 3100 952 4162 -1003 1172 -3679 -1187 -1902 -1481 -1011 408 277 -989 1149 -234 1952 181 1712 -654 809 27 -448 933 337 1804 517 1900 481 776 608 785 995 749 587 -155 163 -795 550 -162 337 209 -48 574 -258 -90 -1482 -1341 -1942 -902 -963 -490 -10 243 395 492 1116 821 1362 638 874 768 496 -223 -202 -1 -463 580 294 -586 -944 -606 -420 67 -80 -152 -180 -212 124 52 827 528 558 46 -659 -466 -252 -162 -368 72 70 827 855 495 54 1 -31 26 278 -240 -85 25 127 -325 -197 -83 -37 296 33 -601 -163 -580 -200 -40 -991 -81 -897 81 -580 -129 -515 -25 -29 -139 -97 -346 232 -144 224 -31 63 10 145 -32 -424 -97 -452 187 -241 281 -180 126 -79 108 189 65 336 -102 133 -450 -150 -249 -197 -136 55 39 -146 177 -40 363 38 382 -159 203 7 -118 237 85 456 143 581 166 286 224 284 365 297 263 -77 86 -401 278 -76 143 82 -18 238 -124 -51 -909 -908 -1418 -693 -786 -419 -9 214 338 397 835 585 966 493 765 773 568 -283 -250 -2 -529 600 296 -620 -1065 -718 -528 91 -113 -238 -299 -359 204 82 1221 767 831 72 -1089 -777 -410 -253 -556 104 103 1160 1207 759 88 1 -60 52 562 -517 -194 60 302 -782 -464 -186 -79 625 SS 20211129T101849.0Z 8003.429734 371 1 7.89 2 75.56 166.97 64.50 237.83 0.00 1 0.00 1 0 25 2.102e-01 6.935e-03 1.589e-01 3.875e-03 5.970796e-01 2.009005e-03 7.698624e-03 -6.000000e+00 1.219338e-01 220.34 -2.00 3.88 -2.00 320.02 0.00e+00 1.551323e-03 6.004666e-04 4.129547e-04 -6.000000e+00 5.034217e-03 269.30 -2.00 20.00 -2.00 319.75 0.00e+00 3.926 0.001 302.00 328.00 3 2.5131e+00 5.5852e-03 5.1028e-02 -6.0000e+00 3.0008e-01 1.0345e-01 6.7955e-03 3.3398e-02 -6.0000e+00 3.2759e-01 -5.0797e-02 6.8329e-03 1.7925e-02 -6.0000e+00 1.9361e-01 1.0191e-02 3.6417e-03 5.7298e-03 -6.0000e+00 8.1730e-02 4.2813e-04 -1.0293e-03 1.1369e-04 7.1533e-05 -6.0000e+00 6.2957e-03 -1.5264e-02 2.2998e-05 12 9 1 12 1 1 99.14 22.01 0.19 -0.01526 -0.02300 15 20 1 5 0 481.975 25.17 20.00 22.01 12.82 27.8 1015.35 50760 -105896 6109 -99546 134454 -28140 5558 37538 -76275 -9595 -59657 26191 -29002 41530 -31890 10483 -7990 -1576 -13846 -3963 9033 -15760 12368 -10348 14062 -19835 -3937 -7947 4528 8015 -6764 7247 -6409 3616 -8881 5281 -11010 2675 -2511 -3050 1568 -2092 945 -5453 2157 -3394 3337 -253 827 4552 1860 3287 1026 2985 -1739 2902 -687 1211 150 744 2402 977 2892 261 1186 658 1500 -1137 1673 -42 126 886 -1216 1201 -1168 1170 -790 721 -735 225 -14 -1093 -1430 -1748 -882 -975 -388 -411 488 -401 472 1252 368 1545 470 617 591 565 -873 -233 -300 -401 678 -136 -213 -1286 -357 -675 31 -308 -208 78 -188 206 75 1017 199 652 -357 -545 -258 -275 127 132 538 -571 892 515 827 206 105 336 24 334 -256 -169 35 198 -399 -242 -262 -24 -10 212 -2060 48 -1961 508 -279 43 246 -1516 -116 -1184 273 -583 556 -981 261 -262 -53 -562 -155 325 -716 455 -499 589 -1188 -209 -432 219 393 -427 468 -532 294 -809 422 -1088 270 -317 -455 253 -377 174 -1094 410 -690 651 -52 175 985 447 857 297 914 -587 979 -246 428 53 256 828 364 1170 118 564 315 700 -549 841 -24 77 566 -792 742 -691 625 -401 357 -392 134 -9 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