File name: Pandora21s1_Bremen_20240314_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T162743.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 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_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20240314_L1_smca1c7d20231020p1-8.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: 20240314 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 20240314T075229.7Z 8839.328122 120 1 44.24 2 71.98 120.20 84.16 65.26 0.00 1 0.00 1 0 17 9.573e-02 8.491e-03 7.878e-02 6.059e-03 4.047340e-01 3.121182e-03 5.203416e-03 -6.000000e+00 5.610833e-02 225.01 -2.00 3.88 -2.00 319.71 0.00e+00 4.664979e-04 8.033531e-04 2.097871e-04 -6.000000e+00 2.307542e-03 268.28 -2.00 20.00 -2.00 319.37 0.00e+00 3.191 0.001 302.00 328.00 3 4.7313e+00 8.5960e-03 3.8909e-02 -6.0000e+00 1.3936e-01 5.6633e-02 9.9677e-03 2.2781e-02 -6.0000e+00 1.5254e-01 1.8988e-02 8.3259e-03 1.1585e-02 -6.0000e+00 8.9560e-02 -1.8460e-02 4.4439e-03 3.4431e-03 -6.0000e+00 3.6619e-02 1.2092e-04 -1.1970e-03 1.9567e-04 4.4071e-05 -6.0000e+00 2.8895e-03 1.4407e-03 0.0000e+00 12 9 1 12 1 1 99.99 22.32 0.21 0.00144 -0.00755 57 13 1 5 0 762.597 25.39 19.99 22.32 18.87 35.3 1018.76 12749 -45752 34756 -6205 31256 900000 54824 14448 -10638 10942 -35437 29653 -12785 15451 -9273 14532 319 7619 717 -7116 13013 -5164 -6328 -3457 12323 9754 5426 -8382 17695 7383 -2944 -1813 -2995 9483 -3802 5025 -12569 -1865 -3185 -4160 -1326 823 1155 -2771 6326 -1917 4426 -3784 1041 225 -462 2327 -2610 212 -437 1411 -1899 472 -729 782 1590 -419 1879 -1425 1613 -431 1763 978 2879 558 898 943 -989 1397 -805 2462 -4162 1467 -1055 334 -1897 -484 -288 -1512 -1069 -917 213 -577 1022 -14 1372 1197 367 1291 575 1934 -328 -303 -936 68 -505 200 580 -1815 -1164 -1096 654 208 696 -129 303 -316 7 -270 260 103 294 220 -146 -32 -902 407 -466 255 120 -206 1177 312 981 -687 400 -512 904 82 -212 -292 -40 458 -353 411 -343 -12 -382 269 -1676 664 -158 560 900000 899 364 -357 320 -1597 858 -610 676 -570 798 21 502 53 -579 901 -428 -558 -317 1039 862 491 -828 1378 665 -322 -218 -389 1099 -487 620 -2065 -329 -671 -1000 -335 213 307 -772 1631 -537 1164 -1084 291 67 -149 790 -992 82 -177 579 -813 195 -302 323 690 -202 962 -789 854 -222 869 506 1615 354 605 646 -675 881 -477 1290 -2204 754 -613 217 -1411 -388 -245 -1377 -1032 -935 223 -618 1060 -14 1258 1025 305 1098 537 1992 -383 -384 -1231 86 -599 219 620 -2067 -1400 -1383 851 287 1022 -205 500 -528 11 -413 373 144 414 325 -229 -52 -1470 641 -718 376 169 -281 1559 433 1462 -1117 676 -903 1629 157 -426 -607 -84 978 -755 847 -685 -24 -733 SS 20240314T080442.8Z 8839.336607 129 1 18.45 2 70.41 122.96 82.50 67.49 0.00 1 0.00 1 0 17 2.602e-01 5.846e-03 9.218e-02 4.606e-03 3.743968e-01 2.343089e-03 4.860550e-03 -6.000000e+00 1.515598e-01 225.01 -2.00 3.88 -2.00 318.93 0.00e+00 7.439947e-04 4.909349e-04 1.549223e-04 -6.000000e+00 6.227944e-03 268.28 -2.00 20.00 -2.00 318.60 0.00e+00 2.951 0.001 302.00 328.00 3 4.5737e+00 6.3189e-03 3.5938e-02 -6.0000e+00 3.7656e-01 7.0759e-02 7.1900e-03 2.0965e-02 -6.0000e+00 4.1197e-01 -1.8844e-02 5.2864e-03 1.0544e-02 -6.0000e+00 2.4270e-01 8.6771e-04 2.8044e-03 3.0718e-03 -6.0000e+00 9.9561e-02 1.8596e-04 -7.4884e-04 1.4440e-04 3.7680e-05 -6.0000e+00 7.8253e-03 8.6911e-04 0.0000e+00 12 1 1 12 1 1 99.95 22.32 0.26 0.00087 -0.00476 10 6 1 5 0 1676.125 25.39 20.00 22.32 18.99 35.3 1019.05 -13321 -414 -23184 -1052 -13420 300511 -12183 4332 -5934 1175 8313 -14294 2022 -11075 -4794 309 60 4432 -1798 -1307 -4313 -647 -4273 -1684 29 6293 -1212 6110 621 -921 4651 1904 1813 2700 2528 -2365 416 -696 -1563 455 -2391 1785 -3589 -513 -718 -498 2156 -1003 -811 2849 -581 1462 2446 209 1871 590 1708 -921 1592 44 595 1473 -303 1078 -724 -94 -1664 420 725 297 -1022 -544 318 192 278 -63 -169 -1067 97 -866 -41 -1687 -1200 -813 -633 132 346 -233 147 516 477 1069 271 7 465 748 555 168 -75 -301 -599 333 400 -204 -686 -321 -888 -65 -150 364 54 39 -230 147 348 291 52 -341 -714 -326 120 -98 52 -251 164 158 1303 673 548 259 -220 22 118 134 126 -92 506 -390 -100 -375 15 -211 -163 -550 -16 -1125 -39 -530 1350 -527 179 -292 56 388 -908 129 -931 -434 29 6 453 -203 -152 -522 -77 -551 -226 4 841 -170 769 81 -129 680 315 319 469 429 -439 85 -170 -451 145 -837 627 -1355 -190 -268 -185 779 -374 -307 1089 -246 650 1143 104 947 309 893 -487 815 23 328 870 -195 712 -477 -59 -1027 263 496 222 -818 -441 251 144 194 -40 -104 -670 66 -660 -34 -1538 -1148 -814 -668 145 393 -268 166 560 485 1017 251 6 474 833 677 219 -101 -394 -740 385 454 -242 -860 -417 -1207 -91 -223 569 88 64 -365 221 498 406 74 -502 -1103 -517 190 -152 80 -370 233 217 1747 935 809 405 -359 36 202 238 233 -175 979 -765 -195 -715 28 -380 -293 SS 20240314T081451.3Z 8839.343649 132 1 52.01 2 69.15 125.30 81.10 69.34 0.00 1 0.00 1 0 25 1.396e-02 4.575e-03 2.825e-03 3.917e-04 3.586080e-01 1.992185e-04 4.678839e-03 -6.000000e+00 8.129311e-03 225.01 -2.00 3.88 -2.00 318.85 0.00e+00 6.036138e-04 4.059384e-05 1.431664e-04 -6.000000e+00 3.340087e-04 268.28 -2.00 20.00 -2.00 318.51 0.00e+00 2.783 0.000 302.00 328.00 3 9.9636e-01 5.3744e-04 3.4101e-02 -6.0000e+00 2.0198e-02 2.6096e-02 6.1000e-04 2.0110e-02 -6.0000e+00 2.2096e-02 -1.7303e-02 4.4305e-04 1.0119e-02 -6.0000e+00 1.3018e-02 1.1118e-03 2.3423e-04 2.9435e-03 -6.0000e+00 5.3407e-03 8.1810e-03 -7.3978e-04 1.2380e-05 3.6895e-05 -6.0000e+00 4.1968e-04 3.7059e-05 0.0000e+00 10 0 0 10 0 0 89.70 22.33 0.21 0.00004 -0.00552 1042 204 1 5 0 48.103 25.39 20.00 22.33 19.58 35.5 1023.69 -5497 -3697 -3739 -595 -4619 -3212 -6578 -3532 -3180 -2631 -2263 -4475 -2679 -3506 -2075 -1435 -205 -652 182 128 615 475 -656 -501 -1426 -726 -1209 190 -76 130 540 11 -654 -1111 -406 -1549 -1139 -1186 -1183 -1348 -1046 -789 -886 -332 -562 -231 -462 -57 439 841 841 943 937 796 984 701 531 668 1005 1277 1421 1305 907 179 270 304 393 905 558 117 -119 -251 -153 -257 14 -23 137 429 -52 -367 -831 -1471 -1243 -1047 -878 -411 -315 -21 -99 241 301 557 892 935 718 764 609 -286 -433 -380 -531 48 361 -394 -683 -568 -490 -30 -56 -71 -240 -198 -122 100 471 635 522 293 -191 -505 -156 -181 -55 223 260 668 1086 749 344 213 -36 104 175 29 -125 -11 137 -294 -151 -134 -190 -131 -200 -236 -167 -169 -24 -183 -127 -295 -173 -169 -144 -128 -287 -197 -282 -189 -142 -21 -72 21 15 73 57 -84 -68 -207 -107 -174 26 -11 18 83 2 -119 -201 -71 -287 -239 -297 -351 -453 -378 -297 -341 -128 -218 -89 -177 -22 169 337 364 438 464 414 528 386 295 366 542 697 820 763 577 119 175 186 233 553 379 89 -96 -207 -123 -195 9 -15 87 276 -34 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