File name: Pandora133s1_Heidelberg_20250110_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T135210.0Z 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_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250110_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: 20250110 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 20250110T105632.4Z 9141.455930 300 1 46.97 2 71.76 171.11 97.76 35.71 0.00 1 0.00 1 0 17 5.075e-02 7.598e-03 1.036e-02 9.079e-04 4.223616e-01 4.559470e-04 5.325684e-03 -6.000000e+00 2.860585e-02 222.01 -2.00 3.74 -2.00 319.31 0.00e+00 1.597382e-03 1.129753e-04 6.449396e-04 -6.000000e+00 1.210985e-03 268.22 -2.00 20.00 -2.00 318.87 0.00e+00 3.154 0.001 302.00 328.00 3 2.5408e+00 1.2468e-03 3.8151e-02 -6.0000e+00 7.0501e-02 1.6399e-02 1.4464e-03 2.2757e-02 -6.0000e+00 7.6916e-02 -4.1098e-03 1.1772e-03 1.1953e-02 -6.0000e+00 4.5615e-02 -4.9540e-03 6.3221e-04 3.9924e-03 -6.0000e+00 1.9584e-02 1.1643e-03 -5.3196e-04 2.6390e-05 4.3253e-05 -6.0000e+00 1.3849e-03 -1.1620e-02 0.0000e+00 11 8 0 10 0 0 99.98 21.91 0.11 -0.01162 -0.01562 265 76 1 8 0 173.270 20.00 21.91 11.54 26.00 26.11 1.9 815.36 -13317 -10552 -15356 -14119 -22713 -20084 -17899 -18029 -12751 -16039 -15325 -13681 -7958 -5275 -365 -2241 -661 90 -18 -295 1104 -2094 584 -2355 -1359 -2078 -3715 -4125 -3697 -1303 561 -293 1245 -4532 -5399 -3965 -4546 -1832 28 -311 -907 35 -148 189 1271 496 -87 18 -799 581 1613 580 1500 1084 1184 881 330 412 -95 315 1134 2012 2956 2586 100 34 -1080 -425 1422 1171 1183 928 783 509 -559 -1377 -2452 -2394 -1438 -1517 -1288 -1347 -2250 -1304 -434 4 540 1284 1328 608 628 -639 -1047 -697 -400 -256 1002 1094 302 -132 -793 -1706 -807 -414 -1155 -983 -723 -536 437 859 832 339 269 -420 -478 -155 -151 263 708 180 417 640 785 393 528 -737 -24 427 -42 -118 -445 -496 -670 52 147 -137 670 536 67 25 -191 -945 -319 -271 -421 -351 -565 -548 -526 -546 -406 -551 -535 -533 -355 -276 -22 -151 -47 7 -1 -25 92 -181 52 -232 -140 -225 -403 -423 -370 -138 66 -39 181 -693 -786 -594 -780 -365 7 -85 -248 10 -44 56 376 149 -26 6 -249 189 568 223 614 474 535 410 156 192 -44 145 550 1066 1718 1604 62 20 -625 -252 930 799 863 691 567 346 -378 -846 -1439 -1441 -967 -1087 -1042 -1202 -2147 -1307 -430 4 584 1401 1423 615 630 -603 -954 -660 -421 -283 1236 1386 394 -176 -988 -1961 -894 -488 -1467 -1305 -946 -744 649 1381 1321 541 439 -643 -684 -216 -216 397 1132 298 677 1010 1196 573 787 -1063 -34 645 -66 -198 -793 -857 -1203 98 295 -268 1324 1074 133 49 -367 -1760 SS 20250110T115141.3Z 9141.494228 329 1 0.78 2 71.41 184.59 92.02 46.17 0.00 1 0.00 1 0 17 3.778e-02 9.080e-03 5.499e-02 4.881e-03 4.195785e-01 2.449085e-03 5.287600e-03 -6.000000e+00 2.129469e-02 222.01 -2.00 3.74 -2.00 319.13 0.00e+00 8.860277e-04 5.759542e-04 5.698468e-04 -6.000000e+00 9.014333e-04 268.22 -2.00 20.00 -2.00 318.69 0.00e+00 3.099 0.001 302.00 328.00 3 1.8422e+00 6.6697e-03 3.7603e-02 -6.0000e+00 5.2483e-02 -1.9109e-03 7.6896e-03 2.2547e-02 -6.0000e+00 5.7256e-02 2.6369e-03 6.0955e-03 1.1661e-02 -6.0000e+00 3.3955e-02 -7.4492e-03 3.2840e-03 3.6281e-03 -6.0000e+00 1.4580e-02 2.4969e-03 -6.2094e-04 1.4225e-04 3.9849e-05 -6.0000e+00 1.0308e-03 -1.2256e-02 0.0000e+00 12 9 1 12 1 1 -304.46 22.02 0.29 -0.01226 -0.01692 6 120 1 8 0 109.010 20.01 22.02 11.63 26.00 26.21 2.0 817.53 -8985 -3587 -13485 -13808 2717 -4740 2244 -13109 -580 -10732 -9296 -11857 -4128 -168 -7516 5421 849 -5552 288 744 -18454 -3385 3954 -1415 -42 -719 -3538 -1339 -3965 53 -3096 1104 353 -1946 -9212 -3710 -5138 -649 -539 1823 -6652 -325 181 1122 88 1305 -1615 1051 9219 1659 113 1095 1396 -310 193 761 926 505 636 489 1775 2644 2492 2603 -753 352 -1211 185 411 449 1964 1023 -99 965 -412 -821 -2828 -1978 -2126 -1317 -1479 -975 -1833 -1221 182 37 -538 1551 719 1116 310 70 -836 -59 -1120 -209 508 1289 -763 -137 -536 -1792 -926 13 -669 -320 -977 -926 184 801 1046 353 308 -304 -701 -133 -457 340 1080 170 -163 562 1565 820 198 -1161 -195 155 -353 164 -59 94 -575 -263 83 -99 804 1296 -194 -531 -570 -810 -226 -96 -398 -384 59 -113 55 -428 -19 -399 -349 -516 -196 -9 -514 373 64 -479 25 66 -2003 -319 369 -150 -5 -84 -417 -145 -441 6 -407 156 56 -312 -1500 -597 -936 -135 -133 509 -2141 -103 59 365 29 430 -547 348 2925 588 44 454 607 -146 94 370 456 250 308 239 892 1451 1488 1620 -473 210 -717 112 272 329 1491 798 -76 700 -280 -514 -1740 -1236 -1444 -1003 -1233 -877 -1733 -1196 186 40 -601 1725 792 1167 311 67 -784 -57 -1161 -235 621 1671 -1032 -179 -658 -2106 -1066 16 -837 -418 -1317 -1307 274 1249 1688 573 487 -458 -1019 -190 -665 511 1691 272 -258 874 2401 1224 289 -1643 -274 229 -550 270 -100 162 -1023 -488 160 -196 1585 2577 -384 -1032 -1075 -1497 SS 20250110T120157.8Z 9141.501364 334 1 1.44 2 71.58 187.09 90.83 48.04 0.00 1 0.00 1 0 25 1.265e-01 2.060e-02 1.402e-01 1.149e-02 4.229940e-01 5.761295e-03 5.406066e-03 -6.000000e+00 7.131668e-02 222.01 -2.00 3.74 -2.00 319.14 0.00e+00 5.890938e-03 1.346241e-03 2.579818e-04 -6.000000e+00 3.018559e-03 268.22 -2.00 20.00 -2.00 318.71 0.00e+00 3.126 0.001 302.00 328.00 3 3.5530e+00 1.5659e-02 3.8053e-02 -6.0000e+00 1.7577e-01 6.8177e-02 1.7969e-02 2.3396e-02 -6.0000e+00 1.9174e-01 -8.6541e-02 1.3915e-02 1.2350e-02 -6.0000e+00 1.1371e-01 3.9201e-02 7.4966e-03 6.4559e-03 -6.0000e+00 4.8838e-02 4.2362e-04 -1.0646e-03 3.3217e-04 6.1293e-05 -6.0000e+00 3.4514e-03 -1.4110e-02 0.0000e+00 12 9 9 12 1 1 999.00 22.05 0.26 -0.01411 -0.02211 1 19 2 8 0 713.740 20.01 22.05 12.61 26.11 26.21 2.0 824.26 75717 33351 -4981 23784 13952 -3987 51914 -9996 -33997 3054 -16577 -10119 15409 103 -1918 10711 16104 19557 18267 9425 -79872 19810 -3306 -8224 1583 8460 -1410 -4528 8114 13224 444 6635 9253 15456 -1093 3899 -6449 7383 4390 -1265 1731 1103 -142 814 6453 2251 5667 2258 2643 7027 1946 4653 1208 3111 1052 821 -3535 4302 -622 2564 -529 5769 4326 4746 -955 2618 -2235 1301 -670 111 -1303 4875 -547 943 -1358 2427 -4148 -1152 -4738 -689 -2948 -707 -4444 -2731 -2824 -909 -1258 2181 583 1347 -1262 176 -4705 609 -922 1546 1133 1738 408 418 -374 -637 -705 5 -2737 1042 -2272 -1132 678 1269 725 -170 -226 -659 745 -129 -1218 1125 565 238 415 606 1099 1074 879 523 297 546 136 939 -1055 752 -417 156 -177 -327 256 193 -407 -171 -337 -1089 1090 796 -174 584 341 -116 943 -356 -1640 107 -710 -462 672 6 -142 790 1211 1522 1515 884 -16962 1669 -358 -974 176 912 -166 -523 826 1407 60 944 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