File name: Pandora21s1_Bremen_20250607_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250607T233142.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250607_L1_smca1c10d20231020p1-8.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: 20250607 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 20250607T072523.5Z 9289.309300 262 1 49.16 2 53.84 100.04 141.37 339.84 0.00 1 0.00 1 0 17 2.286e-02 6.260e-03 1.649e-02 3.974e-03 2.856154e-01 2.074542e-03 3.738786e-03 -6.000000e+00 1.372927e-02 232.93 -2.00 3.88 -2.00 318.02 0.00e+00 3.215302e-04 3.227273e-04 8.157306e-05 -6.000000e+00 5.471736e-04 278.97 -2.00 20.00 -2.00 317.67 0.00e+00 1.690 0.000 302.00 328.00 3 6.0860e+00 5.5725e-03 2.3898e-02 -6.0000e+00 3.4759e-02 6.2970e-02 6.2355e-03 1.6515e-02 -6.0000e+00 3.7779e-02 -8.8681e-03 3.9415e-03 8.0953e-03 -6.0000e+00 2.2119e-02 -7.1058e-04 1.9697e-03 2.2488e-03 -6.0000e+00 8.9475e-03 1.5150e-04 -8.6567e-04 1.2619e-04 2.7582e-05 -6.0000e+00 6.8867e-04 -1.3289e-02 0.0000e+00 11 1 0 11 8 0 99.71 22.75 0.10 -0.01329 -0.01979 15 3 1 5 0 3274.961 25.79 19.99 22.75 21.22 36.4 1004.50 -3662 4929 -6481 6096 -16098 -8632 660 -5812 -6049 5129 2873 -4824 -394 1058 393 -692 1180 3361 17 976 2441 3052 333 1305 918 1715 -452 1740 -1481 209 -1114 -363 -581 -3826 -2447 -1692 -337 -721 -1334 -152 -1434 -701 -1458 -1810 -605 -439 -579 858 -932 1542 1040 -108 1141 2470 259 1980 822 -353 -227 785 1786 937 1180 1243 546 162 -1193 351 -667 1496 -189 501 137 387 -501 -836 -1126 -91 -1230 -1551 -226 -1515 -178 -125 -245 -666 -237 -304 -112 144 -133 907 764 487 -304 892 845 612 203 -195 -1058 -1061 -387 -1063 -394 -1084 185 313 -71 17 111 465 -263 425 -109 -280 -19 139 -710 -467 158 171 1000 383 182 160 1266 214 409 218 -235 359 -85 183 -224 268 126 74 -201 77 -543 -552 -107 -296 392 -572 446 -1350 -672 51 -530 -600 471 274 -530 -47 143 60 -115 202 588 3 187 466 584 68 278 206 388 -102 364 -308 44 -253 -88 -150 -1009 -616 -435 -96 -242 -528 -67 -683 -344 -736 -921 -304 -219 -284 409 -451 749 538 -60 661 1470 162 1241 525 -226 -144 496 1170 663 890 967 416 116 -828 244 -508 1227 -168 451 122 328 -397 -605 -763 -61 -889 -1250 -198 -1453 -178 -131 -274 -787 -290 -378 -138 169 -146 911 726 467 -312 991 1028 800 274 -257 -1324 -1249 -443 -1276 -499 -1442 253 446 -106 27 180 751 -412 624 -151 -374 -25 195 -1055 -722 245 262 1481 550 250 212 1612 280 565 319 -358 556 -135 301 -387 477 230 137 -371 139 -955 -943 -181 SS 20250607T080709.6Z 9289.338306 290 1 6.81 2 47.78 109.70 142.80 355.43 0.00 1 0.00 1 0 17 1.561e-02 7.355e-03 1.439e-02 6.364e-03 2.540446e-01 3.353809e-03 3.376022e-03 -6.000000e+00 9.373719e-03 232.93 -2.00 3.88 -2.00 316.48 0.00e+00 4.194308e-04 3.588001e-04 4.654917e-05 -6.000000e+00 3.735712e-04 278.98 -2.00 20.00 -2.00 316.15 0.00e+00 1.486 0.000 302.00 328.00 3 5.6470e+00 8.8433e-03 2.1130e-02 -6.0000e+00 2.3732e-02 4.2884e-02 9.8427e-03 1.4675e-02 -6.0000e+00 2.5793e-02 -1.0975e-02 5.7036e-03 7.1637e-03 -6.0000e+00 1.5102e-02 2.7809e-04 2.6059e-03 1.9628e-03 -6.0000e+00 6.1092e-03 3.0592e-04 -4.0659e-04 1.9673e-04 2.5946e-05 -6.0000e+00 4.7016e-04 -1.3734e-02 0.0000e+00 12 9 1 12 1 1 999.00 22.75 0.38 -0.01373 -0.01679 1 3 1 5 0 3402.781 25.79 20.00 22.75 22.09 36.3 1007.96 -4986 -3056 -5541 4216 2388 -7557 5497 -4192 3569 -344 -1260 388 -1478 1842 -391 -505 -60 4473 -1325 -65 447 1675 -1958 206 -835 861 492 2222 976 2333 716 487 -732 1091 821 -3858 8 882 -882 -1945 278 -751 -1975 720 1067 -248 -725 -839 1523 -1797 210 -658 1174 333 6 1037 94 -1007 733 1529 39 1256 568 1448 316 419 622 -114 1029 -428 179 -287 83 -566 219 1287 -207 355 478 -409 -1241 -596 -852 -918 -584 -652 -66 97 -993 -305 -724 90 711 539 896 768 1016 -64 -62 -763 -362 -391 -751 34 -943 -119 -508 -160 812 92 -59 842 -7 -164 -676 538 -98 742 -435 -1262 -310 453 102 1308 480 471 176 487 -218 602 548 342 -83 -600 175 710 220 438 -894 122 -750 422 -1173 -859 -547 -1003 653 349 -1203 836 -766 653 -67 -249 80 -343 466 -111 -152 -19 1385 -443 -22 152 567 -702 76 -321 331 185 786 337 805 264 191 -302 439 322 -1607 3 443 -507 -1228 181 -507 -1366 490 723 -168 -486 -555 985 -1212 146 -479 876 257 5 822 75 -808 577 1207 32 1080 513 1327 285 360 514 -96 909 -409 178 -291 82 -550 200 1091 -168 285 404 -374 -1224 -618 -918 -1025 -678 -788 -81 121 -1238 -367 -832 97 733 557 965 881 1239 -83 -81 -987 -448 -464 -882 41 -1191 -155 -678 -219 1142 135 -88 1245 -10 -227 -898 691 -128 987 -606 -1818 -448 645 142 1775 635 605 222 621 -290 825 770 489 -120 -898 269 1115 352 706 -1451 194 -1176 645 -1800 SS 20250607T081659.1Z 9289.345128 293 1 4.00 2 46.40 112.16 142.90 359.19 0.00 1 0.00 1 0 17 1.535e-02 8.248e-03 1.168e-02 5.876e-03 2.455019e-01 3.105947e-03 3.275382e-03 -6.000000e+00 9.220780e-03 232.93 -2.00 3.88 -2.00 316.12 0.00e+00 -3.769129e-04 3.062121e-04 3.963060e-05 -6.000000e+00 3.674829e-04 278.98 -2.00 20.00 -2.00 315.79 0.00e+00 1.448 0.000 302.00 328.00 3 5.1031e+00 8.1566e-03 2.0507e-02 -6.0000e+00 2.3345e-02 2.8846e-02 9.0703e-03 1.4189e-02 -6.0000e+00 2.5373e-02 -3.4806e-03 5.2087e-03 6.9258e-03 -6.0000e+00 1.4856e-02 1.0632e-03 2.3332e-03 1.8964e-03 -6.0000e+00 6.0093e-03 5.5828e-04 -6.9749e-04 1.8031e-04 2.5802e-05 -6.0000e+00 4.6251e-04 -1.3414e-02 0.0000e+00 12 9 1 12 1 1 999.00 22.75 0.14 -0.01341 -0.01866 1 5 1 5 0 1993.678 25.79 20.00 22.75 22.19 36.3 1008.61 -7527 2180 3108 454 -6991 -629 -2031 -727 47 -3657 3422 -507 -3053 -2466 492 618 3640 266 288 -624 460 3150 -948 1687 494 2859 -875 2934 1475 3915 1004 2610 -807 -1541 -2861 -1189 -2187 -1040 -712 -783 -1753 -373 -872 -739 -63 -44 -1428 597 -533 158 906 1936 790 768 153 -811 1001 -268 855 1149 1378 1124 -405 -190 96 -177 -95 798 812 822 -384 434 31 578 -533 -610 -406 -781 -1251 -1568 -79 -1778 -1787 -932 -638 -248 -360 173 -568 219 143 1759 1460 1566 977 1226 1279 799 264 -951 -790 -82 893 -588 -779 -1195 -550 -432 1300 -217 -699 -782 -61 -38 206 684 -113 97 251 -473 -279 -578 -91 340 834 393 773 319 1327 -252 205 652 195 149 61 -519 -273 -303 329 -693 111 -517 121 -1566 440 615 86 -1317 -112 -392 -153 10 -864 768 -123 -832 -742 157 208 1238 95 106 -237 175 1179 -376 685 210 1207 -371 1156 567 1485 408 1106 -364 -692 -1262 -529 -1070 -569 -436 -520 -1227 -265 -630 -534 -45 -32 -1010 411 -367 110 652 1442 613 612 125 -673 826 -222 697 941 1162 994 -377 -179 89 -156 -81 682 733 790 -388 443 31 566 -501 -538 -340 -650 -1092 -1470 -78 -1870 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