File name: Pandora272s1_Lauder_20250923_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20250923T124038.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Richard Querel Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 272 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora272_OF_v3d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20250923_L1_smca1c2d20241202p1-8.txt Full location name: Lauder Atmospheric Research Station Short location name: Lauder Country of location: New Zealand Location latitude [deg]: -45.0380 Location longitude [deg]: 169.6840 Location altitude [m]: 370 Local noon date: 20250923 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: OoB based on session 1 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0435 305.1840 305.3244 305.4648 305.6052 305.7456 305.8860 306.0263 306.1667 306.3070 306.4473 306.5877 306.7280 306.8683 307.0086 307.1488 307.2891 307.4293 307.5696 307.7098 307.8500 307.9902 308.1304 308.2706 308.4108 308.5510 308.6911 308.8313 308.9714 309.1115 309.2516 309.3917 309.5318 309.6719 309.8119 309.9520 310.0920 310.2321 310.3721 310.5121 310.6521 310.7921 310.9320 311.0720 311.2120 311.3519 311.4918 311.6317 311.7717 311.9115 312.0514 312.1913 312.3312 312.4710 312.6109 312.7507 312.8905 313.0303 313.1701 313.3099 313.4496 313.5894 313.7292 313.8689 314.0086 314.1483 314.2880 314.4277 314.5674 314.7071 314.8467 314.9864 315.1260 315.2656 315.4052 315.5448 315.6844 315.8240 315.9636 316.1031 316.2427 316.3822 316.5217 316.6612 316.8007 316.9402 317.0797 317.2192 317.3586 317.4981 317.6375 317.7769 317.9163 318.0557 318.1951 318.3345 318.4738 318.6132 318.7525 318.8918 319.0312 319.1705 319.3097 319.4490 319.5883 319.7276 319.8668 320.0060 320.1453 320.2845 320.4237 320.5629 320.7020 320.8412 320.9804 321.1195 321.2586 321.3977 321.5368 321.6759 321.8150 321.9541 322.0932 322.2322 322.3713 322.5103 322.6493 322.7883 322.9273 323.0663 323.2052 323.3442 323.4831 323.6221 323.7610 323.8999 324.0388 324.1777 324.3166 324.4554 324.5943 324.7331 324.8719 --------------------------------------------------------------------------------------- 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 20250922T221236.3Z 9396.925420 708 1 9.73 2 54.72 45.05 55.69 60.41 0.00 1 0.00 1 0 25 3.441e-02 1.037e-02 9.181e-03 3.230e-03 2.996750e-01 1.651617e-03 3.829567e-03 -6.000000e+00 1.983536e-02 227.00 -2.00 3.69 -2.00 316.85 0.00e+00 1.670763e-04 2.077401e-04 1.764516e-04 -6.000000e+00 8.429857e-04 273.89 -2.00 20.00 -2.00 316.31 0.00e+00 1.727 0.000 302.00 328.00 3 4.8067e+00 4.3120e-03 2.3196e-02 -6.0000e+00 4.9350e-02 7.0653e-03 4.8126e-03 1.6078e-02 -6.0000e+00 5.3509e-02 6.8178e-03 2.8807e-03 7.9987e-03 -6.0000e+00 3.1724e-02 -3.1403e-03 1.4186e-03 2.2817e-03 -6.0000e+00 1.3558e-02 5.5742e-04 -4.8257e-04 9.1781e-05 2.6535e-05 -6.0000e+00 9.4479e-04 5.7238e-04 -5.0725e-06 12 9 9 12 33 33 99.93 27.59 0.44 0.00057 -0.00305 4 3 1 8 0 1945.020 20.00 27.59 16.16 37.75 36.50 1.1 948.51 5616 7041 3805 1084 20701 -1497 -11601 -17329 -2520 -15776 -5594 -7993 5366 -575 1280 -838 -7170 1249 -3930 -104 -172 833 -636 2240 1191 3646 343 -968 2119 -1069 -1933 5293 -586 114 -1385 763 -2664 -3633 1204 2032 -536 901 -577 1181 1289 937 -714 976 -2672 -641 1199 1023 245 1187 729 1045 1561 -534 -1398 -779 2845 1159 1531 1755 525 153 2378 -1673 558 423 366 442 723 351 -174 577 -941 -2857 -1832 -1226 -1762 -847 -1892 -2549 -1809 -460 -688 -470 631 -101 176 74 183 -1031 82 -435 368 1174 663 1824 -440 -976 -2606 -211 501 -407 -460 262 -784 768 643 787 137 994 200 25 -436 3 -745 687 220 -543 443 481 1514 836 -469 73 12 238 478 -245 314 -838 -164 22 -57 428 239 158 -640 -525 -675 656 821 477 133 2054 -176 -1448 -2541 -356 -2738 -881 -1318 868 -114 287 -215 -1910 319 -1108 -29 -50 236 -187 679 385 1198 119 -324 636 -324 -628 1731 -221 45 -532 275 -1068 -1555 585 1082 -306 535 -360 737 801 584 -448 590 -1649 -388 746 687 176 840 542 791 1200 -421 -1091 -595 2130 937 1262 1562 459 134 1895 -1342 449 381 348 446 698 349 -163 516 -769 -2360 -1512 -1050 -1621 -862 -2006 -2711 -2026 -547 -826 -585 790 -125 213 83 196 -1053 85 -494 439 1477 873 2401 -564 -1228 -3073 -249 601 -528 -596 354 -1077 1102 945 1200 208 1477 277 34 -567 4 -1051 980 329 -815 645 679 2092 1106 -627 95 16 329 671 -363 474 -1256 -256 34 -94 717 394 267 -1050 -829 -1075 SS 20250922T221327.2Z 9396.926009 710 1 2.43 2 54.62 44.82 55.56 60.21 0.00 1 0.00 1 0 25 2.471e-02 9.619e-03 1.445e-02 5.990e-03 2.899506e-01 3.055989e-03 3.717735e-03 -6.000000e+00 1.424695e-02 227.00 -2.00 3.69 -2.00 316.55 0.00e+00 1.039389e-03 3.569366e-04 6.291823e-05 -6.000000e+00 6.053886e-04 273.89 -2.00 20.00 -2.00 316.01 0.00e+00 1.722 0.000 302.00 328.00 3 4.2694e+00 7.9403e-03 2.2803e-02 -6.0000e+00 3.5446e-02 -8.0358e-03 8.8695e-03 1.5630e-02 -6.0000e+00 3.8429e-02 7.9603e-03 5.2246e-03 7.7464e-03 -6.0000e+00 2.2784e-02 1.3778e-03 2.5201e-03 2.3486e-03 -6.0000e+00 9.7403e-03 9.7644e-04 2.5940e-05 1.6919e-04 2.6548e-05 -6.0000e+00 6.7831e-04 -1.0472e-03 2.0035e-05 12 9 9 12 33 1 999.00 27.58 0.18 -0.00105 -0.00085 1 5 1 8 0 1210.740 20.00 27.58 16.16 37.75 36.25 1.1 948.78 7106 7831 -5435 5771 -3669 -7812 -3785 -14542 -5616 -4621 -802 -2861 -982 1532 -620 3700 -5453 1248 -3203 -65 1352 1357 -1194 5877 -870 3909 404 666 1667 -4643 -813 3907 3841 2860 -3252 160 -3960 -2464 -91 1680 -987 -1033 -628 520 -166 62 437 -67 -2224 542 674 1509 249 1125 1419 32 1561 867 248 -1123 -119 2477 1207 1101 -35 266 1696 301 -1405 2 1255 -334 1155 -861 -756 64 -164 -623 -1122 -253 -1840 -1759 -1473 -2576 -2172 -314 69 718 565 1292 1048 -376 251 168 62 -691 -44 479 -106 905 111 -1490 -1816 -548 -210 -502 -39 -388 -826 663 949 833 289 300 475 -530 -371 510 -390 80 357 -192 506 -150 223 521 -349 334 373 271 1323 419 280 64 233 641 -631 -18 -219 -304 -508 -59 -986 940 1144 -944 855 -532 -1120 -547 -2579 -1014 -883 -148 -550 -208 336 -160 1027 -1624 363 -1019 -21 436 435 -399 1933 -321 1430 156 244 562 -1636 -293 1454 1555 1148 -1322 65 -1669 -1170 -47 946 -599 -661 -415 346 -111 41 288 -44 -1454 344 448 1009 179 849 1056 25 1206 678 191 -867 -93 1999 1020 958 -32 237 1384 253 -1172 2 1210 -331 1144 -847 -731 58 -142 -506 -926 -218 -1736 -1765 -1532 -2843 -2429 -370 83 886 711 1582 1250 -417 264 175 66 -775 -52 608 -142 1211 143 -1885 -2216 -647 -255 -630 -51 -514 -1155 934 1373 1252 432 438 664 -717 -485 677 -532 112 521 -280 722 -216 303 698 -449 430 482 377 1864 601 412 96 357 1001 -1034 -29 -361 -495 -822 -91 -1546 SS 20250922T221411.0Z 9396.926516 712 1 8.84 2 54.52 44.63 55.45 60.05 0.00 1 0.00 1 0 25 1.496e-02 7.559e-03 3.694e-03 1.645e-03 2.977421e-01 8.417076e-04 3.799189e-03 -6.000000e+00 8.629401e-03 227.00 -2.00 3.69 -2.00 316.37 0.00e+00 4.382557e-04 9.397518e-05 8.498934e-05 -6.000000e+00 3.666794e-04 273.89 -2.00 20.00 -2.00 315.85 0.00e+00 1.718 0.000 302.00 328.00 3 3.6233e+00 2.1825e-03 2.3030e-02 -6.0000e+00 2.1470e-02 7.0770e-03 2.4315e-03 1.5912e-02 -6.0000e+00 2.3276e-02 3.5182e-03 1.4248e-03 7.9000e-03 -6.0000e+00 1.3800e-02 -1.9365e-03 6.8142e-04 2.2629e-03 -6.0000e+00 5.8999e-03 1.8406e-03 -1.4582e-04 4.6454e-05 2.6816e-05 -6.0000e+00 4.1080e-04 -7.3471e-04 5.4337e-05 12 9 1 12 33 1 88.87 27.58 0.31 -0.00073 -0.00183 13 9 1 8 0 630.830 20.00 27.58 16.20 37.75 36.25 1.1 949.04 2549 988 -972 -835 3008 -5410 -4273 -8130 74 -4436 -3550 -3688 -366 -98 -300 -518 -1787 764 -602 660 1127 1141 565 2281 1282 1023 1241 535 -204 -852 168 1670 1587 1743 -5065 -847 -3632 -2056 -288 245 -363 412 -705 564 -143 124 -332 415 -943 -20 838 613 1240 1184 704 277 925 142 -670 964 739 1307 1578 1917 536 275 432 -1351 -365 361 376 711 350 416 12 -315 -398 -1541 -1655 -704 -1379 -671 -1691 -2327 -1606 -427 -250 -37 845 417 428 72 -196 -416 -315 235 -84 930 976 820 48 -974 -1766 -1042 -431 -701 -544 -685 -118 432 645 512 299 471 56 32 -176 183 -114 523 -76 120 371 438 676 837 134 262 534 222 396 -10 17 -364 -27 -38 -144 278 76 -8 -254 -697 -770 377 165 -173 -142 477 -886 -667 -1458 14 -920 -733 -778 -84 -24 -84 -152 -565 245 -206 231 401 404 205 804 480 400 493 205 -73 -321 62 658 681 741 -2199 -360 -1597 -959 -148 142 -224 266 -477 384 -98 85 -225 274 -620 -13 567 427 910 879 550 222 750 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