File name: Pandora55s1_QueensNY_20240921_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240922T045757.7Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240921_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: 20240921 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 20240921T112625.8Z 9030.476687 241 1 50.92 2 82.51 95.96 52.37 263.66 0.00 1 0.00 1 0 25 6.443e-01 3.403e-02 1.880e-01 6.382e-03 8.691941e-01 3.770716e-03 9.885482e-03 -6.000000e+00 3.952794e-01 228.49 -2.00 3.51 -2.00 321.88 0.00e+00 3.598381e-03 2.173706e-03 5.805406e-03 -6.000000e+00 1.870559e-02 287.14 -2.00 20.00 -2.00 321.36 0.00e+00 7.102 0.006 302.00 328.00 3 9.8913e-01 1.4635e-02 9.3051e-02 -6.0000e+00 9.8491e-01 9.7299e-01 1.8994e-02 7.1422e-02 -6.0000e+00 1.0721e+00 -1.3925e+00 1.4320e-02 2.5735e-02 -6.0000e+00 6.3819e-01 5.7750e-01 6.6064e-03 1.0567e-02 -6.0000e+00 2.6613e-01 6.7097e-05 -2.9484e-03 1.8158e-04 1.0706e-04 -6.0000e+00 2.0331e-02 7.6757e-04 0.0000e+00 12 8 8 10 0 0 15.90 22.51 0.30 0.00077 -0.02139 49 9 1 5 0 1039.090 26.21 20.01 22.51 23.93 37.9 1038.65 -53032 -52118 900000 -98372 22231 900000 -11687 -170952 334906 -32195 -98325 -64010 -76749 19193 900000 48600 -33872 900000 900000 900000 -10158 103119 157281 -60484 32764 -2546 900000 67471 -17552 -48518 8687 157567 39651 44484 79283 900000 22863 -10172 900000 900000 34819 190080 35088 30525 82623 900000 20937 219603 123080 145785 41447 49694 2440 234957 129688 63124 106595 73051 92962 18633 12534 69932 36481 3250 62129 -1488 59044 9148 18529 22746 18547 24720 27735 158 42477 9891 17174 38138 292 -87 -8081 21890 -3136 5854 -4526 2557 -7727 -2891 -5974 -687 162 -5950 1842 832 -2012 -680 -6951 -5763 -3267 -2296 -2659 -2310 -1162 3174 1189 -993 -4376 -3486 -1857 317 -163 -4916 -856 -979 -2085 -610 1237 2899 147 -386 -2100 -16 4169 5470 1177 2377 910 1932 950 -832 1544 2362 2116 1516 1336 -674 303 264 -166 -1691 -611 -984 -588 -1501 -1583 -1733 900000 -4886 310 900000 -187 -12356 2080 -666 -3820 -1880 -2922 362 900000 988 -1662 900000 900000 900000 -431 1432 1243 -3785 885 -97 900000 1241 -685 -2536 294 1517 1367 1586 2043 900000 932 -607 900000 900000 2042 2776 2290 2098 3466 900000 1539 2510 3656 3690 2993 3653 305 3599 5719 5369 6241 5805 5979 2280 1578 5300 4106 558 6863 -311 7087 1761 3451 4513 4258 5784 6447 46 7799 2223 3276 5772 66 -22 -2638 6308 -1292 2435 -2203 1231 -4286 -1602 -3474 -378 86 -3156 870 394 -1039 -393 -4930 -4676 -2940 -2228 -2641 -2180 -996 2422 914 -812 -3896 -3254 -1837 339 -197 -6857 -1242 -1468 -3133 -885 1734 4040 216 -597 -3386 -26 6130 7696 1670 3267 1236 2562 1324 -1303 2671 4462 4294 3262 3038 -1641 762 679 -430 -4433 -1550 -2385 -1341 -3323 SS 20240921T113731.4Z 9030.484391 244 1 50.38 2 80.42 97.81 54.38 265.59 0.00 1 0.00 1 0 25 5.914e-01 1.344e-02 1.151e-01 2.393e-03 7.508207e-01 1.352782e-03 8.473372e-03 -6.000000e+00 3.574565e-01 228.49 -2.00 3.51 -2.00 321.22 0.00e+00 5.742194e-03 6.932272e-04 1.155425e-03 -6.000000e+00 1.698081e-02 287.14 -2.00 20.00 -2.00 320.63 0.00e+00 5.727 0.003 302.00 328.00 3 8.9456e-01 4.7431e-03 7.0501e-02 -6.0000e+00 8.8808e-01 1.3469e-01 6.6413e-03 4.3603e-02 -6.0000e+00 9.6304e-01 -1.8216e-01 6.5439e-03 2.1662e-02 -6.0000e+00 5.7332e-01 7.1397e-02 3.0634e-03 1.1052e-02 -6.0000e+00 2.4047e-01 3.3542e-04 -1.4895e-03 6.8623e-05 1.0786e-04 -6.0000e+00 1.8243e-02 4.0360e-05 0.0000e+00 12 8 8 10 0 0 14.77 22.51 0.28 0.00004 -0.01115 125 24 1 5 0 402.940 26.21 19.99 22.51 24.55 37.7 1041.71 -209442 -237618 900000 -269428 900000 -151079 -182040 900000 -157300 -108874 -228664 -125025 -198323 -3656 900000 3319 -107844 -122949 900000 79559 -75456 -21292 21537 -96982 -3303 -62830 900000 -44016 -44902 -79933 1103 21163 -12731 -4118 -8323 128769 -17067 -6024 6638 33453 -5632 18734 -9717 1033 7492 30785 -3453 11225 16504 10033 7992 3363 3172 17446 17522 4424 9463 5519 8061 1746 -2135 10785 3518 1551 7092 52 8618 2157 3966 3856 2657 2188 2757 -2413 4166 -76 2328 4662 815 -1449 -635 2199 -1454 -609 -2611 -759 -2797 -642 -2252 -555 -676 -164 357 1122 622 508 -345 -437 -504 -994 -786 -871 595 1019 364 -1250 -1491 -1304 -383 348 -280 -1002 -401 9 -336 565 922 1192 443 -211 -912 -494 702 729 672 145 325 1363 1185 -123 587 360 635 600 116 -352 -306 394 -383 -545 -391 -175 -96 -178 -1623 -2999 900000 -5389 900000 -916 -1524 900000 -1287 -614 -4401 -1015 -3986 -15 900000 21 -2319 -3467 900000 393 -1725 -299 205 -3008 -46 -1640 900000 -995 -1033 -2731 20 396 -392 -132 -285 1206 -656 -235 277 1295 -365 1064 -779 78 551 1874 -298 887 1311 902 808 396 415 2221 2382 717 1544 942 1349 305 -383 1822 707 359 1711 14 2171 586 1126 1215 950 844 1094 -988 1518 -27 737 1383 264 -535 -273 1068 -815 -368 -1701 -511 -2014 -475 -1714 -417 -497 -115 235 726 421 385 -297 -424 -546 -1150 -917 -979 609 981 350 -1262 -1585 -1451 -450 439 -389 -1510 -630 15 -530 857 1361 1761 680 -339 -1496 -809 1106 1123 1013 215 468 1899 1722 -194 1019 669 1246 1228 249 -786 -714 930 -916 -1301 -912 -394 -208 -374 SS 20240921T114613.2Z 9030.490431 249 1 50.45 2 78.80 99.28 55.96 267.06 0.00 1 0.00 1 0 25 3.819e-01 7.948e-03 7.475e-02 1.418e-03 6.670761e-01 7.685797e-04 7.659583e-03 -6.000000e+00 2.272835e-01 228.49 -2.00 3.51 -2.00 320.65 0.00e+00 2.961964e-03 3.292217e-04 1.156600e-03 -6.000000e+00 1.021282e-02 287.14 -2.00 20.00 -2.00 320.00 0.00e+00 4.966 0.002 302.00 328.00 3 7.7522e-01 2.4520e-03 6.1237e-02 -6.0000e+00 5.6428e-01 5.1349e-02 3.2206e-03 3.7207e-02 -6.0000e+00 6.1048e-01 -4.6433e-02 3.0571e-03 1.7955e-02 -6.0000e+00 3.6482e-01 9.5689e-03 1.4983e-03 7.2268e-03 -6.0000e+00 1.5386e-01 8.4763e-04 -1.2324e-03 4.0454e-05 7.2046e-05 -6.0000e+00 1.1399e-02 7.7007e-04 0.0000e+00 11 8 0 10 0 0 5.53 22.51 0.20 0.00077 -0.00849 209 40 1 5 0 241.370 26.21 19.99 22.51 24.89 37.8 1043.60 -183124 -133249 -23807 -135691 -98660 -123009 -118660 -47798 -47671 -127093 -99779 -110025 -76635 -61841 61705 -47895 -47094 149033 21252 12144 -43105 -9698 -22518 -26356 -28159 -10103 17150 -17385 -23693 -30160 -13070 -6119 -4316 -12000 -3241 6425 -3060 -12650 3983 554 -4565 -119 -5506 -2184 -2235 5730 -3143 4607 834 5010 -368 2329 -678 5662 4950 1779 3511 619 2775 -360 1008 2429 3409 59 2721 -217 3576 1104 2086 1868 93 538 -525 -541 147 723 450 2116 1114 -111 -565 556 -1571 -1026 -1458 -1539 -1246 -1107 -765 -823 50 78 587 1293 1192 1028 169 979 -518 -335 -480 -324 138 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