File name: Pandora55s1_QueensNY_20240317_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240322T200252.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240317_L1_smca1c17d20220526p1-8.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: 20240317 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240317T120613.8Z 8842.504326 130 1 50.52 2 78.87 101.17 110.73 11.02 0.00 1 0.00 1 0 25 6.377e-01 1.660e-02 1.437e-01 2.882e-03 7.949374e-01 1.616610e-03 8.791558e-03 -6.000000e+00 3.822608e-01 226.40 -2.00 3.51 -2.00 321.26 0.00e+00 7.978750e-03 7.737517e-04 1.014918e-03 -6.000000e+00 1.727665e-02 277.39 -2.00 20.00 -2.00 320.78 0.00e+00 5.002 0.002 302.00 328.00 3 1.6505e+00 5.3378e-03 6.6213e-02 -6.0000e+00 9.4863e-01 2.4382e-01 7.4728e-03 4.5824e-02 -6.0000e+00 1.0327e+00 -3.1213e-01 7.8266e-03 2.4110e-02 -6.0000e+00 6.1161e-01 1.2406e-01 3.7081e-03 1.2934e-02 -6.0000e+00 2.5670e-01 2.8465e-04 -1.0089e-03 8.0707e-05 1.3665e-04 -6.0000e+00 1.9618e-02 1.7147e-02 0.0000e+00 12 9 8 11 4 0 99.99 22.85 0.18 0.01715 0.00957 117 22 1 5 0 431.700 26.11 19.99 22.85 16.62 36.2 1070.38 -251927 900000 -281023 -76751 -176832 -168344 900000 -130463 -193247 -226479 -146374 -185163 -140701 900000 -17641 -114261 61098 900000 285750 33156 541 4500 -85585 -24166 -54447 900000 -40107 -29387 -81891 299 7385 -14789 -25791 5840 112609 -15489 -9078 20221 47007 -9610 8690 -8704 11517 8225 45584 -1385 26358 25480 20682 10561 8739 5054 20881 27352 10202 16021 8942 11741 3790 6891 16859 7533 -6899 11409 213 7351 1815 2954 4560 1374 3438 3843 -1185 5488 -293 3343 4916 2070 -1763 -470 2670 -1039 -1575 -1839 -1486 -3411 -1509 -2802 -193 -1613 435 -569 1524 -503 -181 -1268 -731 -588 -917 -628 -1085 765 1468 762 -1649 -974 -1663 -799 459 -45 -1278 -549 -454 -766 407 720 1398 757 174 -949 516 1080 1423 438 -76 368 1398 1189 -219 598 355 857 639 95 -311 -215 445 -345 -752 -615 -224 -106 -219 -4742 900000 -7933 -307 -1750 -1554 900000 -1001 -2873 -4888 -1694 -3821 -2544 900000 -166 -3112 369 900000 802 320 7 58 -2642 -452 -1416 900000 -945 -636 -3040 6 173 -510 -1099 193 1380 -629 -388 784 1692 -660 557 -699 808 610 2482 -119 1852 1905 1737 1064 998 664 2604 3466 1586 2454 1470 1864 632 1118 2630 1421 -1686 2625 57 1861 491 838 1419 490 1297 1478 -466 1916 -99 1002 1408 643 -641 -199 1266 -573 -945 -1172 -995 -2435 -1102 -2107 -141 -1151 291 -366 954 -337 -136 -1092 -714 -638 -1068 -735 -1211 773 1379 717 -1642 -1014 -1825 -926 573 -61 -1929 -871 -729 -1215 622 1071 2082 1166 279 -1564 834 1686 2148 649 -111 519 1927 1700 -347 1037 666 1694 1321 206 -708 -505 1060 -834 -1816 -1447 -504 -226 -458 SS 20240317T121612.0Z 8842.511250 136 1 12.95 2 77.03 102.88 110.35 13.23 0.00 1 0.00 1 0 25 4.409e-01 2.189e-02 1.590e-01 6.976e-03 6.851463e-01 3.876592e-03 7.802874e-03 -6.000000e+00 2.661433e-01 226.40 -2.00 3.51 -2.00 320.66 0.00e+00 8.187433e-03 1.556950e-03 5.635197e-04 -6.000000e+00 1.292541e-02 277.39 -2.00 20.00 -2.00 320.14 0.00e+00 4.339 0.001 302.00 328.00 3 2.8344e+00 1.1852e-02 5.6689e-02 -6.0000e+00 6.6035e-01 2.3274e-01 1.5229e-02 3.7980e-02 -6.0000e+00 7.2027e-01 -3.0179e-01 1.4471e-02 2.0316e-02 -6.0000e+00 4.2529e-01 1.2926e-01 7.1463e-03 1.1526e-02 -6.0000e+00 1.7849e-01 1.8016e-04 -1.0456e-03 2.0393e-04 1.1331e-04 -6.0000e+00 1.3704e-02 1.5262e-02 0.0000e+00 12 9 9 12 5 1 99.87 22.85 0.27 0.01526 0.00741 7 6 1 5 0 1617.300 26.11 20.00 22.85 16.80 36.1 1071.07 -209962 900000 -184922 900000 900000 -127510 900000 -47337 -109566 -136754 -123998 -124953 -103905 900000 72657 -72155 110101 900000 900000 900000 10582 47114 -63253 -20184 -64639 900000 4897 -56288 -50523 -8383 63153 -16821 -285 -5265 151438 2331 -12611 32733 42946 -9674 -1545 -8797 5918 10192 47739 -3221 18677 28213 27349 17603 7690 -7542 26768 25048 6673 17014 12411 13661 4794 5063 18018 4007 -12878 8075 -815 5061 -2499 3574 4752 317 2841 4889 -3467 6981 1597 3590 8605 -2579 -1211 -3178 3479 -1416 -2532 -4235 -286 -3764 -1594 -3824 -1715 -800 -2838 86 384 -612 -709 -2039 -74 -454 -477 -581 -295 -302 1780 367 -250 -721 -1798 -822 1277 669 -1625 1133 -333 -1058 290 1373 1081 155 -415 -989 344 1527 -360 921 25 1751 2096 321 -179 1285 1234 809 974 301 -336 -138 -18 -584 -1680 -56 -675 352 -553 -7827 900000 -6131 900000 900000 -2210 900000 -447 -1971 -3335 -2942 -3608 -3160 900000 662 -2950 915 900000 900000 900000 268 852 -3289 -742 -3724 900000 151 -3060 -2720 -346 1605 -1057 -17 -339 2216 139 -960 1926 2696 -1124 -183 -1178 723 1231 4183 -462 2260 3267 3372 2564 1348 -1672 4706 4772 1564 3741 2863 3087 1149 1215 4036 1122 -4692 2674 -303 1779 -938 1324 1915 147 1386 2396 -1792 3123 694 1405 3101 -1061 -547 -1684 1985 -933 -1807 -3224 -221 -3140 -1359 -3379 -1483 -665 -2288 65 281 -468 -593 -1934 -77 -524 -583 -714 -346 -329 1801 375 -266 -807 -2116 -1014 1658 944 -2498 1782 -533 -1666 438 2002 1587 235 -655 -1602 550 2367 -551 1363 36 2449 2868 457 -275 2122 2173 1496 1865 601 -700 -296 -39 -1289 -3732 -120 -1408 699 -1081 SS 20240317T122114.8Z 8842.514754 139 1 50.53 2 76.09 103.75 110.14 14.33 0.00 1 0.00 1 0 25 3.382e-01 8.661e-03 1.370e-01 2.028e-03 6.620097e-01 1.096860e-03 7.441670e-03 -6.000000e+00 1.997961e-01 226.40 -2.00 3.51 -2.00 320.66 0.00e+00 3.705441e-03 4.477150e-04 1.243338e-03 -6.000000e+00 8.823083e-03 277.40 -2.00 20.00 -2.00 320.15 0.00e+00 4.067 0.001 302.00 328.00 3 1.9878e+00 3.3725e-03 5.4086e-02 -6.0000e+00 4.9527e-01 5.5032e-02 4.4223e-03 3.7119e-02 -6.0000e+00 5.3775e-01 -2.6085e-02 4.4706e-03 1.8428e-02 -6.0000e+00 3.1993e-01 -2.5332e-04 2.2099e-03 8.1352e-03 -6.0000e+00 1.3574e-01 5.7726e-04 -1.5440e-04 5.8885e-05 7.7784e-05 -6.0000e+00 1.0153e-02 1.2844e-02 0.0000e+00 11 9 0 11 4 0 99.99 22.85 0.15 0.01284 0.01168 227 43 1 5 0 222.540 26.11 20.00 22.85 16.85 36.1 1071.65 -107229 900000 -166189 -96796 -94303 -65654 48157 100147 -109564 -89537 -116833 -80720 -98213 113734 -33509 -48480 -5361 51837 48459 -6957 22244 -21766 -17918 -26392 -14039 57483 -5500 -18217 -38483 -1990 -2837 -2238 -14995 11119 19135 5132 -11148 10693 3948 -3578 -1093 -8114 -211 -3957 9842 -5821 8313 1602 8518 -1595 3091 -2221 6867 6894 -12 5012 -361 4156 -2365 3113 3085 3316 -3994 2851 -1661 1286 206 1073 2675 -550 1450 -322 -713 90 490 1118 2575 1166 226 87 543 -589 -1658 -1048 -1529 -1130 -1436 -766 -690 -389 566 923 1655 1086 1722 -289 762 -578 -299 -533 -119 367 1276 511 -1157 87 -1231 -46 -23 -26 -1108 -97 -115 -521 387 968 1259 420 171 -1089 -46 -122 226 -93 12 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