File name: Pandora127s1_Mainz-MPIC_20250905_L2Fit_fout2c8d20250721p1-8.txt File generation date: 20251015T101045.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c8p1-8 Local principal investigator: Thomas Wagner Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 127 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora127_OF_v4d20210611.txt Instrument calibration file used: Pandora127s1_CF_v8d20250721.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20250905_L1_smca1c8d20250721p1-8.txt Full location name: Max-Planck-Institute for Chemistry, Mainz Short location name: Mainz-MPIC Country of location: Germany Location latitude [deg]: 49.9910 Location longitude [deg]: 8.2280 Location altitude [m]: 125 Local noon date: 20250905 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0738 305.2143 305.3549 305.4955 305.6360 305.7765 305.9170 306.0575 306.1980 306.3385 306.4790 306.6194 306.7599 306.9003 307.0408 307.1812 307.3216 307.4620 307.6023 307.7427 307.8830 308.0234 308.1637 308.3040 308.4443 308.5846 308.7249 308.8652 309.0054 309.1457 309.2859 309.4262 309.5664 309.7066 309.8468 309.9869 310.1271 310.2672 310.4074 310.5475 310.6876 310.8277 310.9678 311.1079 311.2480 311.3881 311.5281 311.6681 311.8082 311.9482 312.0882 312.2282 312.3681 312.5081 312.6481 312.7880 312.9279 313.0679 313.2078 313.3477 313.4875 313.6274 313.7673 313.9071 314.0470 314.1868 314.3266 314.4664 314.6062 314.7460 314.8857 315.0255 315.1652 315.3050 315.4447 315.5844 315.7241 315.8638 316.0034 316.1431 316.2828 316.4224 316.5620 316.7016 316.8412 316.9808 317.1204 317.2600 317.3995 317.5391 317.6786 317.8181 317.9576 318.0971 318.2366 318.3761 318.5155 318.6550 318.7944 318.9338 319.0733 319.2127 319.3521 319.4914 319.6308 319.7702 319.9095 320.0488 320.1881 320.3275 320.4667 320.6060 320.7453 320.8846 321.0238 321.1631 321.3023 321.4415 321.5807 321.7199 321.8591 321.9982 322.1374 322.2765 322.4157 322.5548 322.6939 322.8330 322.9721 323.1111 323.2502 323.3892 323.5283 323.6673 323.8063 323.9453 324.0843 324.2233 324.3622 324.5012 324.6401 324.7791 324.9180 --------------------------------------------------------------------------------------- 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 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20250905T073656.9Z 9379.317325 196 1 48.64 2 64.23 112.00 143.62 313.17 0.00 1 0.00 1 0 17 1.722e-02 6.626e-03 4.802e-03 8.768e-04 3.153135e-01 4.364418e-04 4.017746e-03 -6.000000e+00 9.729412e-03 229.98 -2.00 3.76 -2.00 318.44 0.00e+00 8.531718e-04 8.462190e-05 3.738280e-04 -6.000000e+00 4.244621e-04 281.83 -2.00 20.00 -2.00 317.73 0.00e+00 2.286 0.000 302.00 328.00 3 2.8904e+00 1.1859e-03 2.8703e-02 -6.0000e+00 2.4329e-02 -5.9511e-03 1.3474e-03 1.7639e-02 -6.0000e+00 2.6373e-02 -6.5719e-04 8.8887e-04 8.6912e-03 -6.0000e+00 1.5665e-02 -5.9016e-03 4.6293e-04 2.4854e-03 -6.0000e+00 6.6925e-03 2.1139e-03 -1.2276e-04 2.4350e-05 2.4886e-05 -6.0000e+00 4.3841e-04 4.3126e-03 0.0000e+00 11 9 0 11 8 0 97.49 20.57 0.22 0.00431 0.00339 161 38 4 8 0 302.090 20.00 20.57 23.25 25.47 25.39 0.1 967.01 -2069 -2581 -2378 -5580 -5649 -7627 -6000 -2601 -3472 -3625 -5118 -4393 -3478 -637 212 -916 462 712 682 994 352 -158 -305 332 -395 116 -990 -1648 -2200 -739 -591 324 815 -1994 -4533 -4297 -3557 -1497 -427 -569 -392 -418 145 116 299 91 -236 -220 -777 147 802 713 1301 1270 716 1180 927 648 353 336 1155 1559 2206 2544 928 -86 -820 -1023 722 998 711 846 320 705 134 -423 -1395 -2268 -1451 -1302 -1509 -1536 -2130 -1644 -753 -438 211 22 660 381 507 19 -858 -429 -314 -63 224 961 482 259 -152 -1062 -964 -398 -820 -1126 -675 -767 -38 602 877 611 630 74 -138 -186 -183 -171 146 238 -166 220 539 448 785 235 -278 626 395 190 228 -462 -494 -218 -35 -106 72 522 150 -48 -100 -481 -460 -116 -160 -151 -341 -307 -408 -340 -163 -246 -270 -382 -340 -308 -65 25 -121 63 102 102 155 57 -25 -50 58 -74 22 -193 -304 -383 -127 -110 66 182 -474 -1027 -947 -853 -417 -130 -203 -153 -171 61 49 127 39 -100 -92 -322 61 354 342 661 683 401 674 543 379 202 191 670 974 1506 1869 700 -60 -538 -658 490 776 610 694 263 607 108 -307 -922 -1437 -960 -983 -1297 -1346 -2017 -1620 -786 -490 248 27 804 450 555 19 -793 -416 -298 -66 262 1252 627 336 -201 -1288 -1087 -457 -1035 -1514 -943 -1039 -54 912 1417 1016 1019 113 -193 -263 -256 -250 211 368 -265 344 817 655 1179 340 -381 842 572 278 355 -748 -813 -372 -64 -189 132 973 284 -90 -178 -890 -822 SS 20250905T074224.0Z 9379.321111 199 1 48.61 2 63.42 113.21 144.21 314.99 0.00 1 0.00 1 0 17 1.584e-02 6.623e-03 4.662e-03 8.651e-04 3.073493e-01 4.319540e-04 3.900695e-03 -6.000000e+00 8.947202e-03 229.98 -2.00 3.76 -2.00 318.42 0.00e+00 7.107772e-04 8.262524e-05 3.340969e-04 -6.000000e+00 3.903305e-04 281.83 -2.00 20.00 -2.00 317.69 0.00e+00 2.222 0.000 302.00 328.00 3 2.8505e+00 1.1704e-03 2.7904e-02 -6.0000e+00 2.2373e-02 -5.3951e-03 1.3292e-03 1.7133e-02 -6.0000e+00 2.4253e-02 1.5523e-03 8.7753e-04 8.4399e-03 -6.0000e+00 1.4406e-02 -6.9126e-03 4.5638e-04 2.4118e-03 -6.0000e+00 6.1547e-03 2.3643e-03 -5.6703e-05 2.4136e-05 2.3254e-05 -6.0000e+00 4.0314e-04 4.0402e-03 0.0000e+00 11 8 0 10 0 0 99.52 20.58 0.22 0.00404 0.00361 215 50 4 8 0 226.080 20.00 20.58 23.57 25.47 25.39 0.1 969.69 -1654 -2256 -2312 -5366 -7588 -2569 -3355 -1270 -2704 -2220 -6308 -4414 -1761 -878 674 85 804 -46 936 1464 190 -826 582 301 601 93 -1472 -1569 -2607 -1256 -612 740 428 -2335 -4372 -4039 -3788 -1744 -614 10 -321 -56 -44 -144 619 -126 -446 -248 -712 -81 818 910 1012 1082 586 1232 689 676 360 39 1058 1733 2577 2470 991 -79 -550 -1300 658 840 676 687 442 755 183 -526 -1585 -2179 -1303 -1350 -1594 -1548 -2231 -1631 -726 -393 293 145 559 538 530 -177 -803 -465 -199 -221 344 1078 488 233 -207 -881 -965 -234 -871 -1048 -610 -855 74 577 869 604 565 77 -168 -226 -154 -209 76 106 -145 211 495 519 743 327 -405 528 320 236 114 -480 -396 -282 1 -68 62 519 222 -84 -82 -500 -540 -89 -134 -141 -345 -442 -137 -195 -83 -201 -171 -500 -358 -160 -93 82 10 113 -6 145 235 32 -137 97 54 115 19 -297 -298 -468 -222 -116 153 98 -567 -1005 -901 -925 -494 -190 3 -127 -23 -19 -62 266 -55 -192 -104 -297 -34 362 437 517 584 329 704 405 396 206 22 614 1081 1749 1811 743 -56 -358 -830 443 648 575 610 393 644 146 -378 -1039 -1364 -850 -1006 -1351 -1458 -2081 -1580 -745 -433 340 174 670 624 571 -175 -795 -443 -201 -228 394 1370 672 320 -267 -1041 -1063 -263 -1075 -1376 -834 -1226 110 852 1366 978 889 114 -247 -311 -209 -297 116 159 -225 321 790 799 1084 458 -539 690 450 362 186 -751 -630 -466 1 -125 119 1005 437 -163 -153 -894 -934 SS 20250905T074700.7Z 9379.324313 201 1 5.92 2 62.74 114.24 144.69 316.55 0.00 1 0.00 1 0 25 1.585e-02 7.509e-03 5.802e-03 1.699e-03 3.016917e-01 8.496511e-04 3.859364e-03 -6.000000e+00 8.956048e-03 229.98 -2.00 3.76 -2.00 317.40 0.00e+00 6.738031e-04 1.245277e-04 2.511242e-04 -6.000000e+00 3.907088e-04 281.83 -2.00 20.00 -2.00 316.68 0.00e+00 2.172 0.000 302.00 328.00 3 2.7214e+00 2.2554e-03 2.7289e-02 -6.0000e+00 2.2395e-02 6.4080e-04 2.5314e-03 1.6751e-02 -6.0000e+00 2.4276e-02 -5.9058e-03 1.5458e-03 8.1986e-03 -6.0000e+00 1.4420e-02 -2.2549e-03 7.7708e-04 2.3026e-03 -6.0000e+00 6.1610e-03 2.8425e-03 -1.3906e-04 4.6058e-05 2.2977e-05 -6.0000e+00 4.0350e-04 3.7275e-03 0.0000e+00 12 9 1 12 9 1 98.74 20.59 0.22 0.00373 0.00268 20 40 4 8 0 281.860 20.01 20.59 23.97 25.47 25.39 0.1 971.97 151 -4083 -2143 -7017 -4878 -868 -4111 951 -3154 -361 -6162 -4967 -2670 335 858 409 2182 367 2152 919 610 115 1449 500 279 868 -278 -521 -2447 -1349 -32 709 852 -1760 -4160 -3819 -3549 -1768 322 -230 -597 -300 418 -357 587 66 -232 -589 -1245 720 1029 1387 1039 1310 329 1594 364 518 164 316 1052 1638 2527 2294 981 -94 -551 -1449 774 683 834 739 201 587 292 -107 -1470 -2467 -1613 -1144 -1668 -1431 -2092 -1694 -760 -443 192 -247 758 473 516 -145 -676 -454 -293 -268 254 976 545 272 -445 -741 -1110 -279 -848 -1008 -694 -796 222 496 804 764 737 154 -147 -112 -42 12 313 231 -145 309 509 665 676 532 -158 675 358 -200 128 -513 -601 -234 50 68 62 612 201 -148 -169 -611 -667 14 -443 -233 -745 -449 -74 -389 98 -379 -44 -784 -649 -392 56 165 80 440 79 476 214 146 27 347 129 77 247 -79 -140 -629 -340 -9 209 276 -602 -1353 -1204 -1222 -653 142 -110 -315 -166 236 -205 334 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