File name: Pandora127s1_Mainz-MPIC_20250527_L2Fit_fout2c4d20250305p1-8.txt File generation date: 20250904T072140.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 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_v4d20250305.txt Level 1 file used: Pandora127s1_Mainz-MPIC_20250527_L1_smca1c4d20250305p1-8.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: 20250527 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]: 305.0725 305.2131 305.3536 305.4941 305.6347 305.7752 305.9156 306.0561 306.1966 306.3370 306.4775 306.6179 306.7583 306.8988 307.0392 307.1795 307.3199 307.4603 307.6006 307.7410 307.8813 308.0216 308.1619 308.3022 308.4425 308.5828 308.7230 308.8633 309.0035 309.1438 309.2840 309.4242 309.5644 309.7046 309.8447 309.9849 310.1250 310.2652 310.4053 310.5454 310.6855 310.8256 310.9657 311.1058 311.2458 311.3859 311.5259 311.6659 311.8059 311.9459 312.0859 312.2259 312.3659 312.5058 312.6457 312.7857 312.9256 313.0655 313.2054 313.3453 313.4852 313.6250 313.7649 313.9047 314.0445 314.1844 314.3242 314.4639 314.6037 314.7435 314.8833 315.0230 315.1627 315.3025 315.4422 315.5819 315.7216 315.8612 316.0009 316.1406 316.2802 316.4198 316.5594 316.6991 316.8386 316.9782 317.1178 317.2574 317.3969 317.5365 317.6760 317.8155 317.9550 318.0945 318.2340 318.3734 318.5129 318.6523 318.7918 318.9312 319.0706 319.2100 319.3494 319.4888 319.6281 319.7675 319.9068 320.0461 320.1855 320.3248 320.4641 320.6033 320.7426 320.8819 321.0211 321.1604 321.2996 321.4388 321.5780 321.7172 321.8564 321.9955 322.1347 322.2738 322.4129 322.5521 322.6912 322.8303 322.9693 323.1084 323.2475 323.3865 323.5256 323.6646 323.8036 323.9426 324.0816 324.2206 324.3595 324.4985 324.6374 324.7763 324.9153 --------------------------------------------------------------------------------------- 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 20250527T064830.2Z 9278.283683 156 1 49.30 2 60.40 91.46 58.58 86.09 0.00 1 0.00 1 0 17 1.706e-02 6.082e-03 1.859e-03 3.355e-04 3.289107e-01 1.689472e-04 4.145555e-03 -6.000000e+00 9.777439e-03 231.87 -2.00 3.76 -2.00 318.32 0.00e+00 7.845675e-04 3.151524e-05 2.103520e-04 -6.000000e+00 4.179765e-04 278.56 -2.00 20.00 -2.00 317.65 0.00e+00 2.016 0.000 302.00 328.00 3 1.2539e+00 4.5777e-04 2.7386e-02 -6.0000e+00 2.4579e-02 5.4443e-03 5.1871e-04 1.8429e-02 -6.0000e+00 2.6611e-02 -1.5457e-03 3.4592e-04 9.0609e-03 -6.0000e+00 1.5753e-02 -5.3414e-03 1.7997e-04 2.6153e-03 -6.0000e+00 6.6729e-03 1.3458e-02 3.6493e-05 9.4477e-06 2.5719e-05 -6.0000e+00 4.4408e-04 1.9596e-03 0.0000e+00 10 0 0 10 0 0 99.96 25.47 0.18 0.00196 0.00223 933 219 2 8 0 52.050 20.11 162.77 22.61 25.47 25.39 0.1 965.78 -2544 -3382 -2643 -7016 -4838 -8233 -3017 -4033 -2124 -4912 -5464 -4237 -3703 -1115 -813 -229 -751 960 104 1749 -228 221 846 341 48 -788 -1096 -2028 -1533 -1084 569 272 1290 -2605 -3753 -3311 -2890 -1227 -786 -386 -831 -208 -265 -164 348 36 -274 -251 -468 36 1125 635 1100 855 755 1118 680 386 345 430 1089 1623 2006 2266 473 80 -321 -418 1163 741 518 621 367 655 91 -414 -800 -1621 -523 -1075 -1412 -1564 -2431 -1634 -825 -511 -87 16 531 538 532 419 -61 297 166 -170 297 863 231 -138 -173 -675 -500 -107 -855 -1222 -764 -838 39 449 542 225 194 -22 -180 196 230 122 299 88 -270 113 548 414 666 221 -33 1003 559 121 81 -366 -214 4 85 -22 -12 421 82 -245 -253 -519 -369 -133 -196 -157 -406 -269 -458 -171 -264 -153 -381 -424 -340 -342 -107 -91 -28 -99 131 15 259 -35 34 131 57 8 -147 -205 -360 -255 -198 101 53 277 -602 -819 -703 -669 -330 -255 -146 -348 -91 -120 -75 158 16 -124 -112 -208 16 531 327 601 496 454 687 393 244 213 262 679 996 1347 1638 352 56 -208 -265 777 569 439 550 325 557 72 -296 -566 -1101 -369 -798 -1195 -1474 -2486 -1735 -857 -569 -102 19 642 629 577 450 -60 283 168 -178 346 1116 324 -194 -228 -813 -558 -121 -1064 -1620 -1054 -1213 54 676 872 372 314 -33 -252 275 318 176 428 134 -427 175 822 599 982 312 -44 1320 794 174 125 -585 -348 8 153 -39 -21 779 153 -451 -447 -943 -647 SS 20250527T065355.6Z 9278.287449 159 1 48.57 2 59.53 92.52 57.74 87.04 0.00 1 0.00 1 0 17 1.652e-02 6.135e-03 4.500e-03 8.427e-04 3.228795e-01 4.257971e-04 4.109519e-03 -6.000000e+00 9.469947e-03 231.88 -2.00 3.76 -2.00 318.30 0.00e+00 7.871446e-04 7.860390e-05 2.572044e-04 -6.000000e+00 4.048344e-04 278.56 -2.00 20.00 -2.00 317.64 0.00e+00 1.964 0.000 302.00 328.00 3 3.0590e+00 1.1552e-03 2.6847e-02 -6.0000e+00 2.3806e-02 2.0203e-02 1.3071e-03 1.8192e-02 -6.0000e+00 2.5775e-02 -2.2276e-03 8.6481e-04 8.9469e-03 -6.0000e+00 1.5258e-02 -5.1242e-03 4.4806e-04 2.5663e-03 -6.0000e+00 6.4630e-03 2.3274e-03 -3.3819e-05 2.3625e-05 2.5777e-05 -6.0000e+00 4.3012e-04 2.0441e-03 0.0000e+00 10 0 0 10 0 0 99.80 25.47 0.21 0.00204 0.00179 165 39 4 8 0 294.340 19.92 162.26 22.96 25.47 25.39 0.0 967.61 -3135 428 -4785 -2968 -5791 -7524 -5154 -2948 -2655 -4612 -5499 -4843 -2150 -1790 619 -984 -33 -160 1426 1602 -128 467 741 766 -637 108 -1563 -1798 -2351 -798 -267 248 732 -2284 -3648 -3309 -2232 -1653 -172 -947 -594 -316 -88 -465 418 44 -928 59 -669 318 784 734 982 934 628 1176 655 489 454 300 1304 1562 2164 2117 595 -146 -92 -631 1130 971 463 859 398 881 -38 -313 -987 -1646 -827 -1035 -1406 -1616 -2275 -1651 -730 -564 85 -93 490 458 495 236 -391 281 -73 -128 215 919 148 -28 -265 -627 -648 -210 -820 -1311 -751 -819 167 401 538 240 295 78 -31 170 129 99 145 227 -298 140 567 365 676 260 -49 1017 664 88 206 -472 -164 -91 143 -99 -81 468 45 -168 -276 -460 -444 -173 25 -304 -173 -340 -435 -313 -199 -200 -372 -444 -406 -202 -179 70 -127 -4 -23 208 243 -20 72 118 130 -116 20 -299 -325 -441 -147 -53 49 160 -530 -802 -707 -516 -448 -56 -363 -248 -138 -40 -213 190 20 -423 26 -296 141 369 375 532 536 374 714 409 304 276 181 800 1031 1559 1508 435 -100 -64 -428 806 727 384 741 345 730 -30 -239 -683 -1090 -570 -814 -1155 -1479 -2251 -1700 -795 -659 96 -110 574 562 563 246 -374 258 -72 -139 261 1140 199 -37 -335 -784 -754 -248 -1059 -1669 -993 -1135 241 623 890 380 490 121 -44 227 171 136 213 357 -482 222 870 541 947 350 -67 1376 893 129 322 -768 -271 -155 241 -178 -149 874 85 -312 -493 -788 -792 SS 20250527T070905.1Z 9278.297976 168 1 3.81 2 57.10 95.53 55.36 89.75 0.00 1 0.00 1 0 17 2.916e-02 9.989e-03 2.163e-02 6.707e-03 3.048569e-01 3.400585e-03 3.905131e-03 -6.000000e+00 1.671049e-02 231.88 -2.00 3.76 -2.00 317.17 0.00e+00 -7.728203e-05 4.643040e-04 1.398830e-04 -6.000000e+00 7.143834e-04 278.56 -2.00 20.00 -2.00 316.52 0.00e+00 1.835 0.000 302.00 328.00 3 4.6286e+00 9.0218e-03 2.5164e-02 -6.0000e+00 4.2008e-02 3.2522e-02 1.0093e-02 1.7082e-02 -6.0000e+00 4.5482e-02 2.0672e-03 6.0881e-03 8.3255e-03 -6.0000e+00 2.6924e-02 -7.7431e-03 3.0159e-03 2.2979e-03 -6.0000e+00 1.1404e-02 5.6103e-04 -2.6129e-04 1.8346e-04 2.4301e-05 -6.0000e+00 7.5903e-04 2.4057e-03 0.0000e+00 12 9 9 12 1 1 999.00 25.47 0.41 0.00241 0.00044 1 6 1 8 0 1902.200 20.00 162.46 23.09 25.47 25.39 0.0 966.20 9448 -5495 -521 -18131 5293 -4611 -1227 5428 -9910 3507 -7072 7143 -6906 6649 -2464 -964 -1118 -2618 1270 1930 6081 -644 4631 -1092 2832 2954 1946 -3280 603 1164 264 359 3167 -595 -4552 2409 -4960 -1339 -3373 -2022 -3673 -161 1859 -1700 879 -968 -829 -15 1301 -2577 2683 1571 452 2892 149 1417 696 2110 1148 820 137 1279 1902 2397 164 -604 599 -1807 2208 -338 490 -121 -168 -1163 863 -109 -3290 -2172 -1142 -108 -2681 -1381 -1631 -841 -32 -34 -489 -19 824 863 756 -270 617 384 -196 485 34 39 570 -501 209 -214 -1236 -55 -274 -999 -581 -1464 -176 1407 345 685 991 -437 -555 -205 149 143 -196 43 -309 -245 975 784 774 -136 -447 1844 40 -163 296 -325 -886 310 133 -313 721 310 123 40 -69 -644 -949 876 -640 -59 -2270 482 -446 -123 581 -1361 447 -986 906 -1121 1098 -500 -211 -256 -634 310 484 1499 -167 1178 -308 819 886 587 -983 165 315 77 113 1050 -209 -1562 764 -1804 -539 -1607 -1075 -2121 -94 1093 -1033 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