File name: Pandora133s1_Heidelberg_20250425_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20250425T232847.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 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_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250425_L1_smca1c3d20240611p1-8.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: 20250425 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]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- 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 20250425T074510.2Z 9246.323035 158 1 46.30 2 57.17 109.40 53.16 152.35 0.00 1 0.00 1 0 17 1.871e-02 8.363e-03 1.218e-02 2.672e-03 2.929479e-01 1.357299e-03 3.644421e-03 -6.000000e+00 1.083057e-02 228.82 -2.00 3.74 -2.00 318.16 0.00e+00 4.958405e-04 2.365958e-04 2.566628e-04 -6.000000e+00 4.593136e-04 275.14 -2.00 20.00 -2.00 317.56 0.00e+00 1.838 0.000 302.00 328.00 3 5.5493e+00 3.6412e-03 2.4285e-02 -6.0000e+00 2.7046e-02 3.0894e-02 4.1112e-03 1.5926e-02 -6.0000e+00 2.9325e-02 4.1465e-03 2.6561e-03 7.9141e-03 -6.0000e+00 1.7370e-02 -6.6641e-03 1.3621e-03 2.3636e-03 -6.0000e+00 7.3857e-03 2.2910e-04 2.1363e-03 7.9216e-05 2.4775e-05 -6.0000e+00 5.1104e-04 2.1681e-02 0.0000e+00 11 8 0 10 0 0 99.99 22.39 0.18 0.02168 0.03773 82 24 1 8 0 564.410 20.00 22.39 17.54 26.32 26.51 1.8 854.47 -3947 -934 637 -499 -4855 -1541 1281 -6720 -1994 -3773 -8458 2182 -392 -106 -549 -1317 6253 2783 4748 1024 2514 -1550 1339 -2866 -808 -3088 -642 -378 -1498 479 2694 351 361 -3865 -3857 -2957 -6294 -1982 -536 -465 -1806 -96 298 -371 1206 -333 -169 -605 -1803 -34 -4 515 1242 1899 1338 1023 1116 1599 307 185 338 1737 2030 2253 -31 13 -849 -578 560 308 824 1305 879 1371 -182 -668 -2188 -2358 -1636 -1748 -1832 -972 -2459 -768 -501 81 383 1239 1100 946 748 -455 -1399 -266 -226 -274 678 938 -178 -143 -750 -1722 -576 -522 -1048 -1438 -676 -516 665 1007 752 -82 163 -468 -828 -178 -214 272 636 180 289 765 572 81 735 -623 544 616 575 111 -364 -580 -223 216 316 26 939 247 10 -360 -557 -1150 -290 -72 49 -35 -323 -101 89 -563 -174 -348 -803 203 -43 -13 -78 -204 943 455 793 182 445 -285 251 -589 -170 -686 -137 -75 -287 93 556 81 89 -973 -915 -722 -1782 -631 -200 -196 -814 -44 140 -175 566 -158 -78 -279 -835 -16 -2 274 688 1098 796 623 685 969 185 113 215 1188 1474 1695 -23 9 -570 -394 416 253 709 1139 757 1118 -139 -465 -1451 -1573 -1187 -1412 -1639 -930 -2485 -803 -557 94 457 1489 1307 1070 790 -450 -1328 -256 -237 -313 843 1241 -240 -185 -920 -1991 -658 -636 -1348 -1923 -943 -749 997 1590 1218 -133 252 -681 -1142 -240 -294 393 974 284 451 1173 855 116 1014 -836 717 850 839 169 -581 -939 -370 372 570 48 1758 467 18 -656 -997 -2009 SS 20250425T081233.9Z 9246.342059 169 1 5.57 2 53.05 115.80 51.29 160.48 0.00 1 0.00 1 0 17 1.194e-02 7.692e-03 4.892e-03 1.855e-03 2.618269e-01 9.466980e-04 3.283759e-03 -6.000000e+00 6.911947e-03 228.82 -2.00 3.74 -2.00 316.88 0.00e+00 5.985226e-04 1.192309e-04 1.227143e-04 -6.000000e+00 2.930723e-04 275.14 -2.00 20.00 -2.00 316.30 0.00e+00 1.659 0.000 302.00 328.00 3 3.4831e+00 2.4839e-03 2.1782e-02 -6.0000e+00 1.7261e-02 3.2541e-02 2.7769e-03 1.4172e-02 -6.0000e+00 1.8714e-02 -7.7099e-03 1.6483e-03 6.9732e-03 -6.0000e+00 1.1085e-02 -1.7707e-03 7.9782e-04 2.0463e-03 -6.0000e+00 4.7142e-03 2.2711e-03 2.1356e-03 5.3589e-05 2.2231e-05 -6.0000e+00 3.2604e-04 2.0351e-02 0.0000e+00 12 9 1 12 1 1 99.82 22.43 0.17 0.02035 0.03640 19 51 1 8 0 264.320 20.00 22.43 18.96 26.41 26.51 1.8 864.61 -41 419 -117 1143 -3556 -3103 -1125 -2105 -2338 -1492 -3706 -2163 -1610 -234 -901 908 450 1536 528 1920 511 1154 324 701 -288 1700 -245 -865 -1497 1123 111 1403 403 -2134 -3990 -2891 -3788 -2351 -683 -564 -769 255 -270 127 562 466 -243 -277 -713 1030 266 776 978 820 761 1143 298 953 343 992 544 1571 2018 1815 -84 343 -833 -938 542 552 483 839 264 835 -15 -407 -1887 -1475 -1260 -1334 -1284 -1850 -2570 -1273 -591 -11 401 1008 802 718 597 -485 -751 -106 -516 143 868 658 124 -279 -968 -1361 -964 -349 -1110 -869 -615 -138 445 780 865 133 -8 -401 -117 89 153 618 732 40 396 319 259 340 547 -497 499 905 121 -30 -293 -240 -438 412 409 76 474 317 -303 -301 -515 -1021 -6 60 -17 150 -440 -390 -150 -312 -380 -247 -616 -378 -313 -51 -222 236 119 420 151 559 151 337 100 223 -96 573 -82 -273 -459 344 36 487 149 -794 -1433 -1063 -1529 -1085 -358 -325 -464 158 -169 80 354 291 -149 -168 -430 628 172 522 682 599 560 852 226 717 255 741 424 1293 1735 1594 -72 278 -661 -754 462 512 465 819 257 774 -13 -330 -1482 -1151 -1046 -1214 -1243 -1904 -2755 -1409 -681 -13 492 1249 976 839 664 -513 -769 -109 -562 167 1078 866 163 -359 -1195 -1607 -1124 -430 -1437 -1142 -837 -193 640 1161 1322 201 -11 -557 -156 115 205 853 1056 59 584 467 370 471 730 -654 647 1198 169 -43 -432 -361 -671 645 669 127 799 536 -511 -495 -840 -1644 SS 20250425T081801.6Z 9246.345852 171 1 45.29 2 52.25 117.13 50.98 162.15 0.00 1 0.00 1 0 17 1.151e-02 7.673e-03 2.672e-03 9.912e-04 2.577692e-01 5.059131e-04 3.225597e-03 -6.000000e+00 6.666112e-03 228.82 -2.00 3.74 -2.00 316.95 0.00e+00 7.437386e-04 6.465274e-05 1.119155e-04 -6.000000e+00 2.826381e-04 275.14 -2.00 20.00 -2.00 316.37 0.00e+00 1.630 0.000 302.00 328.00 3 4.3822e+00 1.3287e-03 2.1412e-02 -6.0000e+00 1.6647e-02 3.6303e-02 1.4858e-03 1.3953e-02 -6.0000e+00 1.8048e-02 -5.1369e-03 8.8434e-04 6.8655e-03 -6.0000e+00 1.0690e-02 -3.4159e-03 4.2920e-04 2.0547e-03 -6.0000e+00 4.5467e-03 9.5456e-04 2.1648e-03 2.8699e-05 2.1827e-05 -6.0000e+00 3.1443e-04 2.0095e-02 0.0000e+00 12 9 1 12 9 1 99.99 22.45 0.13 0.02009 0.03636 83 25 4 8 0 538.980 19.99 22.45 19.28 26.41 26.51 1.8 865.65 -1365 50 -981 -1901 -2569 -2966 -2047 -1787 -648 -2284 -3708 -1955 -1855 -932 20 399 1229 1067 1609 1229 918 933 1014 309 65 930 -277 -228 -648 397 751 888 1010 -2699 -3250 -2804 -3800 -1230 -855 -640 -731 -361 -416 -19 748 156 -338 -70 -863 594 541 736 745 857 1033 993 713 772 291 578 1083 1481 2142 1640 1 -20 -1071 -730 631 505 596 892 677 672 -7 -787 -1594 -1649 -1276 -1746 -1370 -1739 -2238 -1233 -683 12 268 1075 871 667 540 -346 -854 -286 -369 7 906 903 17 -225 -832 -1650 -724 -307 -1213 -630 -591 -469 529 705 847 211 115 -403 -265 -122 -163 499 839 129 260 652 522 240 498 -602 487 671 214 82 -258 -381 -237 342 309 -61 720 294 -131 -332 -483 -1221 -183 7 -140 -252 -307 -360 -267 -257 -100 -370 -599 -331 -351 -198 5 101 319 286 445 352 264 267 302 97 21 309 -91 -70 -191 119 239 300 363 -986 -1122 -997 -1510 -551 -440 -363 -437 -221 -261 -12 462 97 -205 -42 -516 360 345 493 517 617 756 734 533 572 213 426 832 1207 1827 1442 1 -16 -841 -578 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