File name: Pandora133s1_Heidelberg_20241204_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T134638.1Z 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_20241204_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: 20241204 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 20241204T100104.0Z 9104.417408 136 1 26.90 2 73.64 162.04 93.75 129.44 0.00 1 0.00 1 0 25 1.433e-01 8.684e-03 5.923e-02 3.033e-03 5.165020e-01 1.543358e-03 6.454552e-03 -6.000000e+00 8.042945e-02 221.04 -2.00 3.74 -2.00 320.13 0.00e+00 2.460855e-03 5.010214e-04 9.561740e-04 -6.000000e+00 3.455008e-03 270.91 -2.00 20.00 -2.00 319.68 0.00e+00 3.494 0.001 302.00 328.00 3 3.6944e+00 4.4258e-03 4.4046e-02 -6.0000e+00 1.9763e-01 4.0175e-02 5.3970e-03 2.8128e-02 -6.0000e+00 2.1570e-01 -3.8584e-02 5.0700e-03 1.5323e-02 -6.0000e+00 1.2821e-01 1.1579e-02 2.6502e-03 5.4204e-03 -6.0000e+00 5.5244e-02 2.3325e-04 -9.0549e-04 8.7960e-05 6.2847e-05 -6.0000e+00 3.9099e-03 -7.5838e-03 0.0000e+00 12 9 1 12 9 1 99.99 21.73 0.15 -0.00758 -0.01439 52 27 2 8 0 506.800 20.00 21.73 9.88 25.79 26.00 2.0 804.40 -60462 -30909 -45533 -57161 -42616 -39271 -54033 -52328 -37341 -35748 -35787 -47179 -15197 -27638 -10330 -8227 5424 -6708 -3300 -4348 -6772 -13004 -321 -6348 -2129 -13381 -8131 -15134 4032 -4062 5130 -2407 1253 -2846 -12564 -4555 -9608 -2100 2294 608 906 -2062 1499 344 5077 742 160 -536 346 -421 2827 2775 2687 2243 1879 1542 1727 2281 -830 -1294 2001 1777 3461 2415 604 -548 -308 -304 1741 845 1643 1346 935 36 -766 -2815 -3291 -2411 -1077 -1840 -1620 -1168 -2014 -1969 -1238 136 415 1196 1089 556 2808 -114 -1080 -672 -161 -370 800 1523 361 -485 -566 -2276 -501 -1007 -1589 -1689 -512 -512 458 1157 984 77 429 -400 -304 -408 -358 776 610 147 187 614 679 192 575 -820 457 485 -157 139 -285 -259 -574 -163 -182 -386 772 370 130 -61 -70 -665 -987 -430 -744 -969 -584 -542 -930 -1002 -685 -688 -710 -1210 -358 -893 -341 -303 191 -286 -144 -200 -321 -662 -16 -349 -119 -872 -498 -948 211 -257 340 -197 110 -260 -1196 -424 -1062 -255 324 100 162 -396 288 69 978 152 33 -115 76 -100 711 762 790 708 618 524 593 764 -280 -442 705 698 1483 1113 279 -248 -138 -143 893 488 995 830 565 21 -405 -1391 -1565 -1188 -593 -1163 -1153 -909 -1660 -1702 -1139 129 408 1182 1056 514 2396 -95 -885 -575 -153 -394 931 1930 470 -614 -673 -2548 -537 -1142 -1916 -2114 -665 -707 670 1811 1610 128 693 -624 -454 -597 -539 1208 987 243 305 977 1053 288 834 -1168 640 729 -255 241 -520 -486 -1119 -332 -388 -839 1689 820 284 -127 -143 -1315 SS 20241204T100729.7Z 9104.421872 139 1 47.20 2 73.33 163.56 92.97 130.58 0.00 1 0.00 1 0 25 1.357e-01 8.376e-03 6.341e-02 2.925e-03 5.091283e-01 1.494898e-03 6.346783e-03 -6.000000e+00 7.622130e-02 221.04 -2.00 3.74 -2.00 320.24 0.00e+00 1.798995e-03 4.977759e-04 8.802991e-04 -6.000000e+00 3.274089e-03 270.91 -2.00 20.00 -2.00 319.79 0.00e+00 3.433 0.001 302.00 328.00 3 4.0543e+00 4.3222e-03 4.3374e-02 -6.0000e+00 1.8729e-01 1.5132e-02 5.3048e-03 2.7826e-02 -6.0000e+00 2.0440e-01 -1.0040e-02 5.0390e-03 1.5015e-02 -6.0000e+00 1.2150e-01 -6.3248e-04 2.6210e-03 5.0643e-03 -6.0000e+00 5.2359e-02 1.7504e-04 -6.8448e-04 8.5969e-05 5.9973e-05 -6.0000e+00 3.7048e-03 -8.4423e-03 0.0000e+00 11 8 0 10 0 0 99.94 21.73 0.15 -0.00844 -0.01359 102 29 2 8 0 458.180 20.00 21.73 9.86 25.79 26.00 2.0 804.01 -36988 -67502 -24106 -50994 -47635 -51799 -19690 -49003 -17270 -46131 -14501 -43684 -28378 -18862 -16874 -17382 8152 2395 -11688 57 -17202 -11271 -13961 -9483 -11190 -10772 -10016 -2043 -5059 2895 -1280 3633 -2455 -6944 -7101 -1116 -9920 -1481 1119 -225 -1212 1735 -64 2785 4845 2935 -2207 976 -2119 2109 852 2785 2314 2776 64 2547 -346 3548 -1821 1026 403 1568 2393 3644 -505 719 -784 683 753 2387 258 2429 219 1440 -622 -1378 -4340 -1745 -2079 -1342 -1752 -33 -2660 -455 -1191 -566 -457 1463 210 807 2313 378 -1395 134 -438 -79 468 1496 -85 173 -927 -1270 -1071 -562 -1873 -1763 -591 -230 562 1016 709 468 157 -313 -831 122 -523 213 178 278 -122 836 790 620 570 -611 -33 652 -227 781 -502 -363 -546 160 -196 -161 622 503 -151 -25 -303 -570 -454 -1221 -298 -763 -639 -748 -235 -858 -253 -926 -227 -1030 -715 -535 -561 -654 263 89 -518 2 -845 -535 -723 -508 -649 -651 -595 -108 -275 161 -85 264 -210 -622 -611 -95 -1042 -170 153 -36 -211 309 -12 516 891 558 -446 195 -453 464 208 727 657 830 20 818 -116 1134 -600 331 139 590 1000 1600 -228 309 -340 305 376 1308 154 1443 129 787 -317 -648 -2012 -824 -1114 -821 -1213 -24 -2144 -380 -1065 -532 -445 1418 202 731 1928 304 -1114 111 -409 -83 540 1870 -110 216 -1090 -1375 -1131 -621 -2242 -2185 -760 -313 819 1601 1167 778 255 -484 -1237 178 -783 331 290 460 -200 1319 1218 921 822 -865 -46 973 -370 1360 -924 -695 -1081 330 -421 -356 1382 1130 -337 -54 -628 -1149 SS 20241204T101802.7Z 9104.429198 144 1 7.13 2 72.88 166.06 91.72 132.48 0.00 1 0.00 1 0 17 1.065e-01 8.368e-03 7.949e-02 4.510e-03 5.031464e-01 2.286336e-03 6.314123e-03 -6.000000e+00 5.981314e-02 221.04 -2.00 3.74 -2.00 319.79 0.00e+00 2.070564e-03 6.736577e-04 7.397588e-04 -6.000000e+00 2.587446e-03 270.91 -2.00 20.00 -2.00 319.32 0.00e+00 3.348 0.001 302.00 328.00 3 3.4632e+00 6.4143e-03 4.2419e-02 -6.0000e+00 1.4697e-01 4.0575e-02 7.6727e-03 2.7191e-02 -6.0000e+00 1.6042e-01 -3.3565e-02 6.8998e-03 1.4537e-02 -6.0000e+00 9.5406e-02 8.5877e-03 3.6570e-03 4.9866e-03 -6.0000e+00 4.1452e-02 3.4100e-04 -7.2094e-04 1.2975e-04 5.5479e-05 -6.0000e+00 2.9167e-03 -9.3329e-03 0.0000e+00 12 9 1 12 1 1 98.59 21.73 0.19 -0.00933 -0.01475 10 21 1 8 0 629.250 20.00 21.73 9.74 25.79 26.00 2.0 803.00 900000 -22913 -43331 20323 -54138 -37981 -28047 -24558 -36030 -11984 -52780 -22330 -25006 -12834 -11370 1257 5702 8400 -13493 632 -12228 1669 -10631 -3878 1623 -7486 -6639 -3186 -6822 -2833 -880 3433 -4188 -2800 -1363 2559 -7537 1719 -1656 1017 -2356 1262 1237 -861 877 1397 -963 1180 -366 646 741 3339 1853 2626 674 -201 -649 2009 -422 418 613 2253 2619 2144 -309 1108 -1045 454 219 2142 1087 1567 136 651 -1306 -1875 -2244 -1501 -1648 -2276 -1951 -1404 -1548 -1678 -581 366 401 1073 1679 554 975 -766 -1240 -255 439 -255 1236 1008 359 -545 -708 -1890 -413 -681 -1481 -1303 -991 -934 884 1053 712 616 467 -462 70 -452 -363 393 637 165 -152 373 254 742 490 -383 712 660 212 -120 -590 -517 -669 -378 121 -349 862 197 292 138 43 -960 900000 -369 -870 208 -1031 -644 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