File name: Pandora55s1_QueensNY_20250506_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250508T193630.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250506_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20250506 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20250506T162928.8Z 9257.687139 337 1 34.60 2 24.48 166.95 109.68 59.50 0.00 1 0.00 1 0 17 9.712e-03 6.807e-03 1.947e-03 1.376e-03 1.635297e-01 7.350951e-04 1.985593e-03 -6.000000e+00 5.822598e-03 230.37 -2.00 3.51 -2.00 314.74 0.00e+00 1.163080e-05 6.002414e-05 2.210885e-05 -6.000000e+00 2.549788e-04 282.68 -2.00 20.00 -2.00 314.16 0.00e+00 1.098 0.000 302.00 328.00 3 4.9260e+00 1.8898e-03 1.3930e-02 -6.0000e+00 1.4544e-02 6.3094e-03 2.0894e-03 8.4402e-03 -6.0000e+00 1.5721e-02 4.9435e-03 1.1942e-03 4.1281e-03 -6.0000e+00 9.3552e-03 -3.0048e-03 5.1427e-04 1.1437e-03 -6.0000e+00 3.9165e-03 1.0959e-03 -4.0278e-05 4.2082e-05 1.6957e-05 -6.0000e+00 2.8993e-04 -4.9013e-03 0.0000e+00 12 9 1 12 33 1 99.96 22.73 0.23 -0.00490 -0.00520 19 5 1 5 0 1729.190 26.11 20.02 22.73 24.53 38.4 1100.00 -1964 -1189 589 -4562 -1563 330 155 3080 981 -992 -1175 126 -297 805 1641 -488 -1923 3610 1608 864 -1102 719 838 -239 374 55 1163 -1378 -70 439 900 2216 1065 -501 -772 1060 -545 -167 565 -15 -1506 -563 -1672 -1222 -1141 -457 -1719 -337 -927 609 208 185 56 1346 1133 668 1509 715 1273 534 1163 1661 1071 -103 -301 -494 -23 -141 986 776 -170 30 -184 -320 83 -281 33 813 629 -399 -384 -516 -1467 -1182 -1360 -792 -689 -487 -506 -341 -39 158 82 774 1046 778 419 447 -202 -317 -442 -467 -176 759 232 -504 -63 -870 110 275 78 -356 -142 7 -305 203 338 881 479 -40 -629 -206 176 138 369 316 256 1140 751 176 638 296 310 43 323 -403 13 341 -412 -482 -244 -450 -348 -225 -682 -439 219 -1712 -535 105 49 1016 357 -382 -457 48 -118 340 743 -238 -978 1796 825 454 -595 386 449 -132 211 32 675 -793 -38 229 464 1160 586 -285 -435 573 -300 -99 370 -11 -1186 -459 -1403 -1033 -964 -384 -1438 -274 -741 474 163 149 47 1144 986 590 1343 642 1137 475 1037 1509 1016 -102 -304 -491 -22 -127 872 718 -168 31 -194 -336 86 -278 31 711 536 -349 -357 -510 -1529 -1273 -1510 -911 -823 -599 -632 -425 -47 185 90 810 1071 817 461 520 -247 -398 -552 -564 -205 860 269 -610 -79 -1119 144 368 107 -502 -200 9 -404 255 411 1061 591 -51 -838 -280 239 185 484 403 317 1367 899 216 804 384 407 57 434 -559 18 494 -606 -715 -359 -654 -495 -318 SS 20250506T163410.1Z 9257.690395 340 1 19.19 2 24.30 169.63 108.95 60.40 0.00 1 0.00 1 0 17 2.516e-02 1.589e-02 3.001e-03 2.134e-03 1.682819e-01 1.140842e-03 2.063406e-03 -6.000000e+00 1.506274e-02 230.37 -2.00 3.51 -2.00 314.70 0.00e+00 1.126969e-03 9.248330e-05 1.256060e-04 -6.000000e+00 6.602921e-04 282.68 -2.00 20.00 -2.00 314.14 0.00e+00 1.097 0.000 302.00 328.00 3 5.1033e+00 2.9305e-03 1.4107e-02 -6.0000e+00 3.7624e-02 2.8143e-02 3.2385e-03 8.8610e-03 -6.0000e+00 4.0691e-02 -1.0483e-02 1.8495e-03 4.2838e-03 -6.0000e+00 2.4212e-02 2.9691e-03 7.9675e-04 1.5089e-03 -6.0000e+00 1.0117e-02 9.0235e-04 -1.5374e-03 6.5295e-05 1.9694e-05 -6.0000e+00 7.5133e-04 5.8018e-03 0.0000e+00 12 9 9 12 9 1 90.54 22.72 0.16 0.00580 -0.00575 6 3 1 5 0 2741.000 26.11 20.02 22.72 24.96 38.4 1100.00 2098 65 4007 -3016 2137 4913 3217 5577 3577 -632 -567 890 212 341 2890 1537 -995 -24594 3430 3402 290 2842 2834 612 595 -1209 1018 -486 -848 381 2404 2363 2158 -253 -96 2105 4 1109 918 -378 -1860 -718 -1677 -1172 -1094 288 -1694 304 -548 1082 1029 426 1125 1677 1436 800 1262 -175 732 565 657 1350 1169 121 -127 -393 122 68 981 1374 -619 105 -594 -919 112 -479 22 820 499 -851 -595 -129 -1420 -820 -1134 -901 -1260 -375 -222 -340 -330 -1 45 761 803 652 557 663 45 -266 -279 -320 231 970 362 -700 198 -668 19 351 189 -454 2 137 -361 858 709 892 694 187 -490 -3905 242 56 317 439 85 1116 552 -80 648 243 691 628 677 5 205 367 -354 -605 -452 -356 -411 -87 727 24 1496 -1153 734 1550 1025 1847 1292 -245 -221 341 85 147 1319 753 -512 -15066 1769 1790 158 1530 1519 338 338 -711 592 -279 -467 200 1237 1251 1195 -146 -55 1145 2 656 602 -276 -1468 -587 -1406 -990 -925 241 -1421 248 -439 847 807 344 935 1428 1252 709 1126 -158 656 503 587 1229 1108 120 -128 -391 116 61 871 1268 -614 108 -628 -970 116 -475 20 718 427 -750 -555 -127 -1481 -882 -1258 -1036 -1507 -460 -276 -423 -402 -1 49 796 823 685 613 770 55 -334 -348 -387 268 1098 419 -847 246 -855 25 469 260 -638 3 188 -478 1077 859 1073 853 239 -652 -5400 327 75 415 558 105 1338 660 -98 817 314 902 827 907 7 291 531 -519 -894 -663 -516 -583 -122 SS 20250506T163924.4Z 9257.694033 343 1 51.68 2 24.15 172.67 108.13 61.40 0.00 1 0.00 1 0 17 1.560e-02 8.608e-03 3.014e-03 1.956e-03 1.713812e-01 1.039336e-03 2.057734e-03 -6.000000e+00 9.348187e-03 230.37 -2.00 3.51 -2.00 315.13 0.00e+00 -1.985916e-04 9.166545e-05 2.370157e-05 -6.000000e+00 4.094381e-04 282.68 -2.00 20.00 -2.00 314.52 0.00e+00 1.096 0.000 302.00 328.00 3 5.9415e+00 2.6814e-03 1.4156e-02 -6.0000e+00 2.3351e-02 1.8883e-02 2.9711e-03 8.8089e-03 -6.0000e+00 2.5244e-02 6.1101e-03 1.6963e-03 4.3040e-03 -6.0000e+00 1.5021e-02 -3.0165e-03 7.3956e-04 1.1997e-03 -6.0000e+00 6.2855e-03 3.8922e-04 -2.5710e-04 5.9794e-05 1.7018e-05 -6.0000e+00 4.6564e-04 -2.2116e-03 0.0000e+00 11 9 0 11 32 0 99.97 22.72 0.71 -0.00221 -0.00414 14 3 1 5 0 3690.510 26.11 19.96 22.72 25.35 38.5 1100.00 -2898 -5233 6807 -742 -957 1717 -1072 7733 161 -1367 -1934 -2145 -2358 1020 3331 -1266 -4008 242 3460 1792 -2689 285 1756 -1731 88 -906 4012 41 678 -479 531 2174 864 -1415 -1344 3249 -1993 -1873 488 -607 -1884 495 -2422 -804 -919 1037 -2233 1043 -588 863 -5 -228 -58 1851 1429 1049 1888 904 1606 275 -62 2360 1127 -744 440 -852 -309 -483 859 942 -663 370 853 -611 809 -305 230 -382 -108 -1301 -996 -86 -1760 -484 -1158 -1397 -105 -47 -409 61 113 -182 -381 158 -14 290 50 503 -33 -188 -356 -465 -418 1066 305 -394 -170 -436 163 161 517 -428 291 -151 -580 -35 -97 481 195 -108 -862 161 1113 860 200 114 -280 681 394 -222 700 624 402 182 551 -122 425 148 -115 -568 -299 -439 -509 -605 -872 -1729 2080 -234 -280 459 -294 2118 51 -463 -663 -733 -840 382 1335 -563 -1884 112 1591 854 -1348 141 856 -887 46 -492 2113 22 338 -231 252 1047 440 -752 -707 1597 -1031 -1049 302 -424 -1435 389 -1982 -658 -753 837 -1817 815 -453 649 -4 -179 -47 1531 1214 906 1648 796 1403 241 -55 2100 1055 -733 439 -842 -288 -429 747 858 -651 379 892 -644 824 -299 211 -330 -91 -1128 -918 -85 -1834 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