File name: Pandora55s1_QueensNY_20211209_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105035.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 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_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211209_L1_smca1c19d20211111p1-8.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: 20211209 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20211209T131451.4Z 8013.551983 76 1 48.73 2 80.54 131.56 131.40 76.14 0.00 1 0.00 1 0 25 6.638e-01 1.371e-02 1.609e-01 2.862e-03 6.842795e-01 1.589313e-03 7.779589e-03 -6.000000e+00 3.973973e-01 222.91 -2.00 3.51 -2.00 321.02 0.00e+00 6.218814e-03 7.298191e-04 1.752561e-03 -6.000000e+00 1.944778e-02 277.91 -2.00 20.00 -2.00 320.51 0.00e+00 5.796 0.003 302.00 328.00 3 1.1186e+00 5.1203e-03 6.8748e-02 -6.0000e+00 9.8085e-01 1.1622e-01 7.0159e-03 4.0427e-02 -6.0000e+00 1.0741e+00 -1.0880e-01 7.2963e-03 1.9232e-02 -6.0000e+00 6.3347e-01 3.3982e-02 3.5121e-03 9.0279e-03 -6.0000e+00 2.6538e-01 2.7390e-04 -2.5379e-03 8.4783e-05 8.6740e-05 -6.0000e+00 2.0634e-02 1.2726e-03 -1.5761e-04 12 9 9 12 1 1 28.01 22.68 0.32 0.00127 -0.01780 71 14 1 5 0 674.220 25.58 20.00 22.68 6.03 29.2 946.32 -120480 900000 900000 -222730 900000 900000 -63528 900000 900000 -19237 -204850 -63360 -189414 -150724 900000 -67513 -121579 900000 900000 566392 84981 -23620 17974 -57207 19489 -42331 900000 -16841 -38870 -67796 -113 11353 -4891 -42591 -4934 141227 -6967 -11264 40683 15310 2367 7253 -10853 1543 2788 18872 -5624 17767 12204 19241 5888 -922 261 16153 12112 4111 9421 4132 9203 1031 4500 10346 5272 -893 7326 -2444 8045 1141 3924 1291 -1106 202 2123 -2183 3426 -932 2984 5491 475 518 -1215 1597 -1228 -201 -3397 -1758 -2436 -1356 -1753 -663 -1339 -310 379 915 375 777 -691 -197 -320 -878 -520 -484 164 1546 249 -769 -657 -1028 -89 327 452 -1629 158 109 -353 579 1007 1582 373 -40 -859 -277 264 752 -274 306 275 1677 561 -262 165 353 598 359 384 -403 -56 44 -537 -775 -120 -213 150 100 -602 900000 900000 -4085 900000 900000 -243 900000 900000 -65 -4460 -405 -5053 -3647 900000 -1174 -4112 900000 900000 1578 553 -445 234 -1618 286 -1186 900000 -385 -1107 -2704 -3 302 -179 -2446 -205 1458 -306 -588 1563 885 177 568 -1072 142 262 1577 -607 1608 1227 1941 731 -135 42 2446 2045 783 1777 826 1741 207 887 2048 1223 -246 2049 -773 2301 350 1245 468 -455 88 927 -968 1367 -356 1018 1781 170 209 -579 847 -740 -129 -2369 -1271 -1862 -1070 -1411 -523 -1031 -225 261 620 268 614 -624 -199 -355 -1033 -609 -537 168 1491 245 -797 -713 -1169 -106 420 633 -2476 247 171 -544 858 1454 2290 563 -62 -1385 -441 410 1134 -407 441 388 2309 808 -410 282 642 1137 711 792 -870 -124 99 -1232 -1779 -268 -460 310 204 SS 20211209T132432.2Z 8013.558706 81 1 49.17 2 79.19 133.36 129.67 77.96 0.00 1 0.00 1 0 25 2.710e-01 8.691e-03 7.739e-02 1.682e-03 6.249962e-01 8.900520e-04 7.275784e-03 -6.000000e+00 1.573118e-01 222.91 -2.00 3.51 -2.00 320.55 0.00e+00 3.437442e-03 3.539192e-04 1.696128e-03 -6.000000e+00 7.057628e-03 277.91 -2.00 20.00 -2.00 320.01 0.00e+00 5.135 0.002 302.00 328.00 3 8.2833e-01 2.7077e-03 6.1004e-02 -6.0000e+00 3.8679e-01 7.4416e-02 3.4858e-03 3.5349e-02 -6.0000e+00 4.2135e-01 -5.2624e-02 3.4220e-03 1.6758e-02 -6.0000e+00 2.5158e-01 9.9699e-03 1.7068e-03 6.0319e-03 -6.0000e+00 1.0630e-01 7.2927e-04 -2.3072e-03 4.8918e-05 6.6684e-05 -6.0000e+00 8.0939e-03 4.3349e-04 -1.3517e-04 11 8 0 10 0 0 -11.81 22.68 0.27 0.00043 -0.01690 156 29 1 5 0 315.150 25.58 19.99 22.68 7.07 29.5 952.30 -62341 -30716 900000 -156284 -33309 -50960 -98675 17621 -22862 -85664 -120780 -53888 -101207 -74576 16210 -14045 -64138 -61524 31028 27254 8737 -12482 1838 -27080 -6462 -24535 37900 -16307 -6865 -30727 -1337 -6995 4115 -18099 599 21417 -8374 -5455 4431 4777 -3673 1897 -7346 -998 -1110 5433 -3199 1908 5216 5934 3339 1524 2815 4552 4320 1616 3331 530 2407 329 1138 4197 2276 151 1723 -74 2531 1128 2217 1916 -367 -640 257 -1075 825 7 2028 1545 1116 -168 -488 -200 -1172 -1374 -1909 -1373 -1618 -757 -971 -385 -255 409 724 1543 1011 923 442 809 -406 -782 -30 -342 184 857 25 -1375 -683 -1145 46 406 -230 -672 -233 51 41 481 1040 1105 425 -325 -841 -610 -42 9 169 6 637 1667 785 -99 407 14 402 224 349 -382 -176 132 -505 -498 -246 -119 69 236 -343 -149 900000 -2803 -177 -314 -1009 66 -144 -1072 -2267 -600 -2143 -1566 182 -254 -2117 -2205 510 497 197 -350 47 -956 -205 -980 874 -620 -240 -1400 -52 -341 211 -1249 35 1039 -559 -405 359 458 -434 234 -1044 -139 -159 750 -488 287 791 948 591 302 607 1050 1067 428 901 149 659 90 314 1190 723 54 661 -30 979 441 904 865 -187 -347 142 -589 420 3 882 653 493 -83 -277 -128 -832 -1043 -1531 -1150 -1427 -685 -895 -351 -225 342 576 1202 822 822 439 889 -489 -991 -37 -410 205 912 27 -1567 -809 -1414 59 559 -342 -1064 -380 83 65 737 1549 1654 658 -523 -1392 -1006 -67 14 259 9 928 2373 1160 -158 698 25 760 439 709 -811 -385 294 -1135 -1117 -541 -254 142 475 SS 20211209T133047.4Z 8013.563049 84 1 48.83 2 78.34 134.55 128.55 79.11 0.00 1 0.00 1 0 25 1.827e-01 7.120e-03 4.569e-02 1.340e-03 5.889484e-01 7.047385e-04 6.932121e-03 -6.000000e+00 1.060409e-01 222.91 -2.00 3.51 -2.00 320.26 0.00e+00 2.246535e-03 2.540393e-04 1.448532e-03 -6.000000e+00 4.757222e-03 277.91 -2.00 20.00 -2.00 319.69 0.00e+00 4.789 0.002 302.00 328.00 3 7.9092e-01 2.0766e-03 5.6787e-02 -6.0000e+00 2.6073e-01 6.1541e-02 2.5974e-03 3.2365e-02 -6.0000e+00 2.8402e-01 -3.5697e-02 2.4430e-03 1.5625e-02 -6.0000e+00 1.6958e-01 1.9434e-03 1.2409e-03 4.9713e-03 -6.0000e+00 7.1659e-02 1.0922e-03 -2.2545e-03 3.9199e-05 5.9924e-05 -6.0000e+00 5.4554e-03 7.8876e-04 -1.0861e-04 11 8 0 10 0 0 21.20 22.68 0.24 0.00079 -0.01615 195 37 1 5 0 250.370 25.58 19.99 22.68 7.54 29.4 954.66 -47638 -29971 900000 -99927 -47484 -55492 -73664 31288 -25946 -28107 -85893 -27586 -66313 -49844 15497 -18949 -28033 -13249 17389 1780 1104 -14674 3318 -18340 -5535 -9863 16154 -8615 -14973 -20445 -2261 2151 -2644 -9881 -5524 10734 -4984 -1113 4683 648 -3834 -2086 -3408 -3297 -476 1777 -813 1973 2580 3325 1618 899 1558 2886 3019 873 1595 222 1310 999 1861 3125 2209 207 625 -198 2013 414 1766 925 390 -577 -43 -747 -224 -399 1095 1759 240 216 -536 -246 -1460 -1237 -1585 -1121 -1272 -949 -469 -554 -192 317 1029 1159 1494 1385 632 599 -213 -552 -386 -288 402 1046 -143 -977 -692 -727 76 175 -136 -743 -135 -119 31 763 1164 1035 296 -573 -791 -494 -182 -173 -27 62 516 1410 793 -104 367 95 361 251 174 -443 -35 100 -444 -532 -310 12 88 325 -340 -214 900000 -1582 -423 -520 -872 156 -245 -298 -1743 -348 -1405 -1136 244 -480 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