File name: Pandora55s1_QueensNY_20240930_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241001T045127.9Z 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 v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240930_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: 20240930 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 20240930T120450.9Z 9039.503367 128 1 48.94 2 77.14 105.66 54.07 113.31 0.00 1 0.00 1 0 33 1.125e+00 1.023e-01 8.923e-02 5.521e-03 4.310116e-01 2.991184e-03 9.366448e-03 -6.000000e+00 6.833299e-01 227.51 -2.00 3.51 -2.00 319.79 0.00e+00 9.119066e-02 9.891669e-04 1.610156e-03 -6.000000e+00 3.329700e-02 286.04 -2.00 20.00 -2.00 319.20 0.00e+00 4.374 0.001 302.00 328.00 3 3.6510e+00 8.7971e-03 7.5730e-02 -6.0000e+00 1.6975e+00 1.0526e+00 9.6873e-03 1.3536e-01 -6.0000e+00 1.8497e+00 -1.5515e+00 5.2682e-03 2.4515e-02 -6.0000e+00 1.0943e+00 7.4950e-01 3.0127e-03 7.0829e-02 -6.0000e+00 4.5436e-01 7.1989e-05 -4.5418e-03 1.5865e-04 9.1047e-04 -6.0000e+00 3.4881e-02 1.2346e-02 0.0000e+00 12 9 8 11 8 0 87.94 22.50 0.58 0.01235 -0.02178 13 2 1 5 0 3763.440 26.21 19.99 22.50 22.95 37.6 1031.79 393563 366004 900000 332985 900000 900000 378930 900000 355303 234545 103949 136043 102650 279513 900000 322724 219448 -37672 900000 900000 288007 283221 302585 117836 157979 83123 900000 62930 103690 93130 147198 186941 173630 167886 179688 900000 111936 96517 112387 121387 36310 72463 12590 39517 50790 115599 63475 129380 106521 103675 77196 67287 47112 80665 70966 32696 34225 6417 4299 -6540 -7776 29255 22601 13681 33204 20023 36087 17008 16694 12805 1080 3724 1040 -13178 3960 -14371 -3508 707 -7546 -6286 -5179 7605 -3060 -4649 -11566 -9846 -17313 -13269 -14590 -8177 -8060 -7370 -6330 -8363 -12400 -11093 -11253 -4351 -1626 875 3045 2120 3636 3965 1572 -2439 -2296 -3144 447 5219 3572 -628 1417 84 -1508 -1181 45 3849 2820 3425 2134 -22400 9071 10772 6871 6832 4424 6410 5633 5205 7656 7101 6081 4681 2962 -345 -188 -1908 -2104 -4130 -2683 -3261 -2614 -5409 10276 16181 900000 21540 900000 900000 6415 900000 3039 4401 5054 4580 6079 4925 900000 7882 17092 -33138 900000 900000 12868 11411 7865 12273 7628 5879 900000 4411 5587 6905 8687 9981 12633 13825 12701 900000 11756 10891 10440 9882 6226 8706 2731 7350 9576 13474 13302 15884 16872 17067 16314 15819 13563 17001 15657 9329 8634 1884 1215 -2064 -2714 8335 7963 5975 13323 9320 14016 7408 7061 5785 576 2018 576 -7912 1919 -7574 -1543 286 -3418 -3191 -3045 4530 -2165 -3489 -9463 -8237 -16089 -12469 -14281 -7685 -7422 -6425 -5078 -6440 -9883 -9534 -11033 -4632 -1904 1081 3739 2518 3944 4034 1615 -2696 -2670 -3866 568 6833 5110 -985 2249 134 -2338 -1748 64 5389 4148 5284 3461 -43839 14037 16094 10263 9876 6306 8792 7878 7770 12116 11950 10704 8511 5593 -688 -384 -4013 -4466 -8907 -5642 -6670 -5111 -10475 SS 20240930T121123.6Z 9039.507912 131 1 50.31 2 75.95 106.81 52.98 114.74 0.00 1 0.00 1 0 25 2.085e-01 9.970e-03 5.620e-02 1.994e-03 5.027161e-01 1.051352e-03 5.895913e-03 -6.000000e+00 1.236110e-01 227.51 -2.00 3.51 -2.00 319.66 0.00e+00 2.151123e-03 3.189487e-04 4.922725e-04 -6.000000e+00 5.615346e-03 286.04 -2.00 20.00 -2.00 318.94 0.00e+00 4.028 0.001 302.00 328.00 3 2.5926e+00 3.0211e-03 4.7994e-02 -6.0000e+00 3.0630e-01 4.0100e-02 3.6136e-03 2.6832e-02 -6.0000e+00 3.3167e-01 -2.3113e-02 2.9024e-03 1.3037e-02 -6.0000e+00 1.9835e-01 2.5445e-03 1.5021e-03 4.4977e-03 -6.0000e+00 8.4013e-02 4.0178e-04 -1.0327e-03 6.0237e-05 4.8796e-05 -6.0000e+00 6.2240e-03 8.0999e-04 0.0000e+00 12 8 8 10 0 0 90.34 22.48 0.15 0.00081 -0.00695 51 10 1 5 0 986.130 26.21 20.00 22.48 23.12 37.6 1032.67 -60630 -91015 900000 -82398 39896 640 -35385 145845 -14757 -25759 -64106 -39648 -50281 -1186 37677 -4128 -27591 -16157 31324 15831 -11443 4777 11111 -23490 856 -10552 35282 -12912 -5898 -15835 4588 564 1465 -4148 -3239 19667 -6529 -2703 2653 5188 -6232 1364 -5083 -2137 -117 6345 -2572 2794 3098 4585 870 1352 -567 4939 4921 792 3709 1114 2300 75 -467 3598 1165 -1631 965 -742 1860 -183 1412 1230 118 481 500 -1791 1369 -807 885 2371 611 -868 -1260 851 -1623 -1645 -1917 -1150 -1764 -1152 -1177 60 -377 -2 778 1753 1434 825 239 772 -25 -507 -593 -884 24 1052 163 -804 -487 -911 -169 495 147 -590 -123 -239 -163 634 1066 1195 534 -297 -1039 -682 -8 309 53 93 503 1191 975 -155 616 384 381 474 334 -449 -74 236 -477 -759 -324 -198 -130 210 -1146 -2670 900000 -2456 369 8 -647 546 -278 -582 -2169 -1150 -1854 -34 908 -171 -1596 -919 1236 766 -739 272 608 -1860 58 -848 1921 -1085 -456 -1352 351 51 149 -483 -382 1854 -804 -360 399 900 -1363 305 -1264 -537 -29 1529 -678 712 802 1210 250 419 -194 1728 1823 316 1494 464 947 31 -195 1512 540 -845 521 -412 988 -97 759 717 76 330 352 -1272 912 -514 516 1302 343 -531 -867 639 -1350 -1451 -1770 -1107 -1784 -1203 -1253 63 -388 -2 721 1559 1298 798 254 893 -31 -668 -781 -1122 28 1193 187 -972 -612 -1187 -229 701 220 -935 -200 -386 -257 956 1559 1744 803 -465 -1681 -1110 -12 485 81 139 732 1688 1402 -237 997 654 671 855 622 -872 -147 480 -984 -1572 -661 -394 -249 396 SS 20240930T122231.6Z 9039.515644 134 1 50.29 2 73.95 108.81 51.15 117.26 0.00 1 0.00 1 0 25 5.654e-02 6.707e-03 1.033e-02 9.718e-04 4.513691e-01 5.063957e-04 5.349760e-03 -6.000000e+00 3.352363e-02 227.51 -2.00 3.51 -2.00 318.96 0.00e+00 5.231120e-04 1.224003e-04 3.511565e-04 -6.000000e+00 1.504939e-03 286.04 -2.00 20.00 -2.00 318.20 0.00e+00 3.554 0.001 302.00 328.00 3 1.7938e+00 1.4010e-03 4.2486e-02 -6.0000e+00 8.3067e-02 2.6270e-02 1.6227e-03 2.3642e-02 -6.0000e+00 8.9949e-02 -1.1691e-02 1.1732e-03 1.1537e-02 -6.0000e+00 5.3759e-02 -1.9973e-03 6.1458e-04 3.2931e-03 -6.0000e+00 2.2693e-02 1.4998e-03 -9.0619e-04 2.9421e-05 3.9771e-05 -6.0000e+00 1.6869e-03 5.2378e-04 0.0000e+00 11 8 0 10 0 0 97.55 22.49 0.20 0.00052 -0.00629 135 26 1 5 0 372.410 26.21 20.01 22.49 23.55 37.6 1034.85 -29552 -21400 14475 -27767 -14865 -12573 -20501 6163 -8435 -10159 -17230 -15398 -11151 -4717 8287 -5623 -5242 -1763 7522 3739 -4215 20 491 -3487 -2831 -1267 3191 -1937 -3168 -3596 -509 1533 1425 -2722 -916 3123 -992 -1045 1129 -414 -1531 -583 -2039 -1289 -1238 993 -1059 509 -32 1598 676 891 208 2004 1123 945 1338 331 674 528 1095 1873 1632 -7 1 -437 1123 444 1361 1029 275 -104 -537 -731 -280 -249 359 1155 1170 147 -252 -359 -1649 -1233 -1318 -1116 -1062 -779 -666 -470 73 261 599 1472 1572 1338 767 732 -420 -470 -508 -589 109 1062 19 -847 -591 -801 -134 49 -93 -531 -275 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