File name: Pandora133s1_Heidelberg_20240917_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T133015.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240917_L1_smca1c4d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20240917 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.1331 305.2741 305.4152 305.5562 305.6973 305.8383 305.9793 306.1203 306.2613 306.4023 306.5432 306.6842 306.8251 306.9661 307.1070 307.2479 307.3888 307.5297 307.6705 307.8114 307.9523 308.0931 308.2339 308.3747 308.5155 308.6563 308.7971 308.9379 309.0787 309.2194 309.3601 309.5009 309.6416 309.7823 309.9230 310.0636 310.2043 310.3450 310.4856 310.6262 310.7669 310.9075 311.0481 311.1886 311.3292 311.4698 311.6103 311.7509 311.8914 312.0319 312.1724 312.3129 312.4534 312.5939 312.7343 312.8748 313.0152 313.1556 313.2960 313.4364 313.5768 313.7172 313.8576 313.9979 314.1383 314.2786 314.4189 314.5592 314.6995 314.8398 314.9801 315.1203 315.2606 315.4008 315.5410 315.6813 315.8215 315.9617 316.1018 316.2420 316.3822 316.5223 316.6624 316.8026 316.9427 317.0828 317.2229 317.3629 317.5030 317.6431 317.7831 317.9231 318.0631 318.2031 318.3431 318.4831 318.6231 318.7631 318.9030 319.0429 319.1829 319.3228 319.4627 319.6026 319.7424 319.8823 320.0222 320.1620 320.3018 320.4417 320.5815 320.7213 320.8611 321.0008 321.1406 321.2803 321.4201 321.5598 321.6995 321.8392 321.9789 322.1186 322.2583 322.3979 322.5376 322.6772 322.8168 322.9564 323.0960 323.2356 323.3752 323.5148 323.6543 323.7939 323.9334 324.0729 324.2124 324.3519 324.4914 324.6309 324.7703 324.9098 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20240917T060547.0Z 9026.254016 199 1 20.41 2 80.98 97.46 111.76 281.14 0.00 1 0.00 1 0 17 4.707e-01 1.694e-02 3.526e-01 1.038e-02 6.429659e-01 5.699525e-03 8.161259e-03 -6.000000e+00 2.732353e-01 228.45 -2.00 3.74 -2.00 321.52 0.00e+00 8.932044e-03 2.904801e-03 4.069470e-03 -6.000000e+00 1.201151e-02 280.83 -2.00 20.00 -2.00 321.00 0.00e+00 6.042 0.005 302.00 328.00 3 2.8443e+00 2.0184e-02 7.0921e-02 -6.0000e+00 6.8100e-01 1.7126e-01 2.7225e-02 3.9852e-02 -6.0000e+00 7.3909e-01 -2.9957e-01 2.6837e-02 2.4691e-02 -6.0000e+00 4.3778e-01 1.2080e-01 1.2699e-02 1.1256e-02 -6.0000e+00 1.8682e-01 4.5884e-05 -4.6364e-04 3.0932e-04 1.8631e-04 -6.0000e+00 1.3142e-02 6.5419e-03 0.0000e+00 12 9 9 12 1 1 99.51 22.40 0.35 0.00654 0.00306 19 12 4 8 0 1019.950 19.99 22.40 19.07 26.32 26.51 1.7 864.05 93039 -238630 900000 -155886 -183847 126587 900000 -129165 -32570 -111975 -43794 104284 7851 -104775 -118260 -72276 24966 -30016 9624 -60318 -68376 -42177 -59971 69961 -27673 19185 62527 -45644 -70439 68264 2537 10701 -30336 189611 -44963 7484 733 2404 -12314 11695 15997 13580 10551 18722 12591 21467 -7517 2445 27797 26379 2478 26176 6034 12814 12624 4227 3433 3270 0 10459 10983 12521 3823 9866 1586 6640 7769 2930 503 10117 3715 8410 1442 2078 -2746 593 -10257 -4106 -6498 -2620 -3458 6807 -5664 -1705 -423 2547 -296 3394 -911 806 -5159 2187 -4392 -964 -2135 66 -137 1392 -395 -37 -1195 -1251 -531 -2392 -3432 -1021 424 -1639 684 -74 106 -277 -279 -757 -965 -62 -860 486 309 1215 1340 2230 1659 288 1167 -931 373 934 180 434 -439 -717 1013 -301 -148 157 653 -72 258 -645 -553 -834 941 -7769 900000 -2159 -3079 1280 900000 -1507 -329 -1233 -443 1055 79 -2396 -3820 -1751 264 -590 137 -1743 -2120 -1019 -1800 708 -667 306 647 -1318 -2723 819 69 319 -1477 1918 -2384 257 30 116 -821 711 1009 933 774 1311 956 1556 -736 229 2165 2289 300 2773 842 1785 1822 681 561 522 0 1582 1780 2271 855 2257 392 1527 1799 762 152 3126 1300 2827 497 665 -829 161 -3067 -1260 -2391 -1085 -1649 3302 -3251 -1004 -264 1632 -203 2271 -623 514 -3255 1236 -2665 -621 -1577 55 -132 1451 -429 -39 -1169 -1120 -460 -2253 -3451 -1058 466 -1985 895 -107 162 -434 -430 -1127 -1388 -88 -1271 754 500 1963 2121 3421 2476 423 1656 -1307 528 1451 313 822 -888 -1517 2229 -711 -367 395 1673 -186 652 -1572 -1287 -1890 SS 20240917T061822.3Z 9026.262759 205 1 48.69 2 78.96 99.91 113.63 283.66 0.00 1 0.00 1 0 25 6.000e-01 5.791e-02 3.318e-01 2.756e-02 5.179217e-01 1.484234e-02 8.153842e-03 -6.000000e+00 3.504156e-01 228.45 -2.00 3.74 -2.00 320.73 0.00e+00 2.880108e-02 5.287677e-03 4.604946e-03 -6.000000e+00 1.720642e-02 280.82 -2.00 20.00 -2.00 320.13 0.00e+00 5.033 0.003 302.00 328.00 3 5.5623e+00 4.5351e-02 5.7140e-02 -6.0000e+00 8.7382e-01 6.0809e-01 5.3145e-02 3.0327e-02 -6.0000e+00 9.5093e-01 -7.0991e-01 3.8707e-02 2.3665e-02 -6.0000e+00 5.5949e-01 3.2444e-01 1.9859e-02 2.2126e-02 -6.0000e+00 2.3934e-01 6.8938e-06 -3.4753e-03 8.2598e-04 3.4060e-04 -6.0000e+00 1.7018e-02 2.4878e-02 0.0000e+00 12 9 8 11 8 0 99.99 22.40 1.27 0.02488 -0.00124 19 5 1 8 0 2560.370 20.01 22.40 19.51 26.32 26.51 1.7 866.66 16798 900000 108855 900000 -130765 900000 -5007 900000 -64690 77117 900000 900000 196370 132075 -18791 81298 177974 289601 31030 34076 13129 -32749 -48214 900000 19764 -40054 8048 136755 58279 49475 321205 45194 81463 134509 6090 119934 121525 -1993 25277 -9045 25898 -6958 20233 15412 67151 83717 -3298 20552 7710 66460 57606 23382 -23769 907 37442 12615 21630 28187 -357 24350 11994 16232 -4133 4600 1714 20983 13496 26641 -11647 21718 2373 12541 6018 5552 -7081 4636 -20161 -10596 -17070 -8321 -14368 32968 -7212 -3809 -12290 1486 -4803 5158 1359 -1938 139139 -1858 -14196 -4468 -3575 -1588 2911 4178 -626 1553 -713 -2285 -2754 -1249 -11448 -2960 3967 561 2839 1943 613 -5307 427 -3049 947 2129 56 -1787 3172 4522 965 6901 3048 527 -191 -1016 2813 1917 1282 -997 943 -2295 -753 347 4629 -2669 715 -2062 4207 -4435 -22 -1554 755 900000 2921 900000 -19225 900000 -182 900000 -3673 2069 900000 900000 5269 3544 -1690 3232 4775 7771 2348 2502 1104 -3919 -6128 900000 1134 -3970 498 3669 2442 2680 8619 3491 4805 4635 646 4385 4699 -272 2968 -1592 3404 -1309 3100 2583 7207 8044 -727 3715 1603 8400 8516 5065 -8341 259 7466 3123 4808 5728 -94 5354 3224 4735 -1636 1784 668 6531 4448 8021 -5589 8423 1148 5508 2683 2309 -3000 1622 -8636 -4471 -8847 -4618 -9521 15314 -5114 -2753 -10323 1146 -4098 4083 1096 -1512 26799 -1255 -10610 -3255 -2959 -1482 2974 4683 -752 1753 -754 -2240 -2634 -1253 -13427 -3386 4526 708 3853 2900 981 -9026 665 -4614 1313 2895 81 -2804 5016 7155 1544 10173 4499 766 -269 -1398 3754 2801 2096 -1800 1774 -4592 -1546 746 10048 -6326 1681 -5014 9391 -10119 -47 -3181 SS 20240917T075535.8Z 9026.330276 259 1 51.01 2 64.18 120.33 126.98 305.49 0.00 1 0.00 1 0 17 1.402e-02 7.319e-03 1.141e-03 3.048e-04 2.710439e-01 1.550554e-04 3.442606e-03 -6.000000e+00 8.087778e-03 228.44 -2.00 3.74 -2.00 317.77 0.00e+00 7.776571e-04 2.486248e-05 2.633338e-04 -6.000000e+00 3.522065e-04 280.82 -2.00 20.00 -2.00 317.06 0.00e+00 2.282 0.000 302.00 328.00 3 1.4858e+00 4.1298e-04 2.6897e-02 -6.0000e+00 2.0138e-02 -1.6845e-02 4.6499e-04 1.4910e-02 -6.0000e+00 2.1838e-02 1.6124e-03 2.8888e-04 7.3228e-03 -6.0000e+00 1.2983e-02 -4.7956e-03 1.4613e-04 2.1002e-03 -6.0000e+00 5.5439e-03 9.4820e-03 -6.7102e-05 8.9814e-06 2.3038e-05 -6.0000e+00 3.8361e-04 2.6348e-03 0.0000e+00 11 8 0 10 0 0 99.95 22.62 0.17 0.00263 0.00213 1545 411 2 8 0 30.670 20.02 22.62 23.09 26.51 26.73 1.6 891.02 -396 -298 -1453 -5381 -5284 -4750 -2504 -2068 -1752 -4335 -4017 -2111 -1169 154 1049 -90 371 718 1176 1272 -302 608 978 491 422 580 -1250 -2089 -1484 258 319 1474 670 -3576 -3725 -2801 -2515 -640 -37 -349 -717 -60 -435 -113 247 102 -280 -485 -965 612 657 878 1269 994 877 1256 447 237 12 589 1153 1864 2416 1778 -304 -103 -1258 -153 1091 819 691 684 510 427 -454 -989 -2063 -1548 -1257 -1486 -1289 -1790 -2225 -1044 -501 35 362 1070 898 620 522 -532 -767 -198 -313 106 976 742 27 -176 -1029 -1538 -636 -526 -1346 -758 -791 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