File name: Pandora55s1_QueensNY_20240503_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T134507.8Z 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_20240503_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: 20240503 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 20240503T144339.2Z 8889.613648 281 1 49.76 2 37.23 122.31 56.26 210.03 0.00 1 0.00 1 0 17 2.262e-02 9.839e-03 4.053e-03 2.261e-03 1.914861e-01 1.195345e-03 2.286136e-03 -6.000000e+00 1.354175e-02 230.19 -2.00 3.51 -2.00 315.73 0.00e+00 -3.029404e-04 1.185703e-04 3.262887e-05 -6.000000e+00 5.931038e-04 282.45 -2.00 20.00 -2.00 315.07 0.00e+00 1.255 0.000 302.00 328.00 3 5.8778e+00 3.1007e-03 1.6035e-02 -6.0000e+00 3.3813e-02 3.0525e-02 3.4460e-03 9.8323e-03 -6.0000e+00 3.6568e-02 6.3257e-03 1.9722e-03 4.8005e-03 -6.0000e+00 2.1759e-02 -2.0343e-03 8.7905e-04 1.3467e-03 -6.0000e+00 9.1005e-03 3.3900e-04 -3.7273e-04 6.9677e-05 1.8203e-05 -6.0000e+00 6.7527e-04 1.2338e-03 0.0000e+00 12 9 8 11 32 0 99.98 22.77 0.48 0.00123 -0.00157 24 5 1 5 0 2072.810 26.11 19.98 22.77 21.22 36.8 1082.42 -2650 -5519 10914 -8206 490 5361 240 9792 2698 -575 -1753 1528 -2802 -9430 4813 882 -2939 -4460 7004 3918 -1337 1123 3139 -2365 1195 -793 -354 -1006 -23 -477 822 3142 770 -1089 -1216 -1395 -1415 -1336 441 514 -1856 325 -2177 -1237 -336 1535 -1789 439 -521 612 -34 -1304 -393 2060 1971 958 2192 1181 2062 910 1151 2670 1220 31 -172 -1626 -76 -1187 429 1047 178 187 748 -1098 638 -632 298 1120 -93 -1072 -1762 5 -1340 -1024 -1628 -610 -1245 -414 -868 75 -188 -321 285 175 446 971 44 169 -196 -254 212 -756 -249 1208 426 -446 -338 -543 433 1075 503 -451 193 -128 -323 248 402 589 270 -256 -987 -68 773 -184 352 235 -378 923 274 -553 463 635 780 208 551 -293 454 109 -149 -675 -384 -407 -197 -398 -626 -1448 2550 -2192 112 1099 52 2093 676 -157 -488 412 -822 -3203 1596 325 -1168 -1834 2682 1579 -571 475 1309 -1057 539 -377 -169 -469 -10 -200 339 1321 349 -515 -569 -633 -652 -672 249 327 -1312 238 -1665 -951 -256 1154 -1361 322 -376 432 -24 -973 -304 1621 1593 794 1830 998 1726 761 965 2279 1101 30 -167 -1573 -69 -1027 364 932 171 189 771 -1143 640 -610 266 930 -75 -904 -1606 5 -1387 -1101 -1822 -708 -1514 -519 -1110 95 -233 -379 314 183 456 1019 49 201 -247 -330 272 -939 -295 1385 502 -551 -434 -718 586 1487 722 -668 286 -186 -446 324 505 733 345 -343 -1381 -96 1089 -257 479 309 -483 1137 338 -702 607 854 1066 288 778 -429 683 168 -232 -1064 -600 -623 -295 -591 SS 20240503T155652.8Z 8889.664500 324 1 10.53 2 27.52 150.21 64.49 227.97 0.00 1 0.00 1 0 25 8.115e-03 6.515e-03 1.301e-03 9.649e-04 1.697426e-01 5.160567e-04 2.082133e-03 -6.000000e+00 4.858775e-03 230.20 -2.00 3.51 -2.00 314.49 0.00e+00 1.135703e-04 4.037759e-05 3.015436e-05 -6.000000e+00 2.127923e-04 282.46 -2.00 20.00 -2.00 313.95 0.00e+00 1.127 0.000 302.00 328.00 3 3.0780e+00 1.3233e-03 1.4377e-02 -6.0000e+00 1.2132e-02 2.1050e-02 1.4620e-03 8.7961e-03 -6.0000e+00 1.3120e-02 4.3347e-04 8.3619e-04 4.3103e-03 -6.0000e+00 7.8071e-03 -1.6071e-03 3.5756e-04 1.2019e-03 -6.0000e+00 3.2655e-03 6.6477e-03 -2.0784e-04 2.9386e-05 1.8091e-05 -6.0000e+00 2.4226e-04 5.8412e-04 0.0000e+00 12 9 1 12 1 1 99.85 22.69 0.22 0.00058 -0.00098 27 25 1 5 0 375.370 26.00 20.00 22.69 22.49 36.6 1088.74 -844 -1588 -1864 -3368 -1391 359 911 1669 1213 -269 -130 799 617 691 783 -494 -348 -135 329 931 1 1046 1288 858 418 152 -355 -582 12 1196 1554 1597 1494 -838 -663 708 324 501 248 -686 -1283 -1019 -1321 -1317 -862 -884 -981 -957 -650 266 739 631 714 769 575 669 706 172 678 777 1464 1246 907 327 -792 -203 28 237 1182 760 214 -266 -551 -509 -567 -284 386 448 1130 134 104 -454 -1316 -1084 -1112 -877 -623 -644 -570 -685 -190 20 151 1127 1213 1063 808 795 -332 -441 -243 -422 24 900 66 -560 -340 -642 -143 -34 -104 -310 -326 -165 -96 546 774 811 627 -74 -531 -412 -134 -119 331 343 525 1417 928 541 476 35 96 128 248 -367 -153 -26 -515 -437 -182 -229 -307 -37 -329 -641 -773 -1358 -529 124 311 615 469 -112 -54 328 266 310 391 -258 -190 -71 178 513 0 590 723 496 242 92 -216 -341 7 668 852 912 861 -511 -395 398 186 305 170 -511 -1033 -841 -1130 -1143 -745 -759 -830 -783 -531 210 583 520 598 672 502 596 638 158 611 692 1303 1155 869 324 -815 -201 27 213 1074 717 209 -273 -585 -537 -595 -285 361 394 978 117 97 -454 -1394 -1174 -1230 -1000 -735 -778 -706 -844 -230 23 168 1177 1267 1118 896 908 -404 -546 -304 -513 28 1003 77 -679 -424 -814 -187 -46 -141 -425 -448 -223 -128 679 929 961 773 -96 -691 -554 -179 -160 426 431 643 1692 1102 651 588 46 123 167 333 -506 -214 -37 -746 -639 -262 -329 -428 -52 SS 20240503T162428.7Z 8889.683666 340 1 3.47 2 25.49 164.40 68.34 233.86 0.00 1 0.00 1 0 25 8.354e-03 6.769e-03 6.663e-04 5.008e-04 1.654152e-01 2.683183e-04 2.035137e-03 -6.000000e+00 5.001504e-03 230.20 -2.00 3.51 -2.00 314.42 0.00e+00 7.110845e-05 2.061099e-05 3.028457e-05 -6.000000e+00 2.190446e-04 282.46 -2.00 20.00 -2.00 313.88 0.00e+00 1.108 0.000 302.00 328.00 3 7.4058e-01 6.8780e-04 1.4085e-02 -6.0000e+00 1.2489e-02 1.5865e-03 7.5927e-04 8.5793e-03 -6.0000e+00 1.3506e-02 2.4067e-03 4.3473e-04 4.2055e-03 -6.0000e+00 8.0364e-03 -2.3095e-03 1.8560e-04 1.1719e-03 -6.0000e+00 3.3614e-03 7.1310e-02 -2.0714e-04 1.5288e-05 1.7943e-05 -6.0000e+00 2.4938e-04 6.1905e-04 0.0000e+00 12 9 1 12 1 1 97.49 22.68 0.24 0.00062 -0.00094 99 275 1 5 0 34.630 26.00 20.01 22.68 22.79 37.0 1091.05 -439 -1674 -2506 -2988 -1391 522 1261 1572 1185 -459 -86 925 997 888 455 -212 -47 141 218 530 -72 1055 1248 913 445 73 -715 -922 351 1303 1377 1588 1654 -823 -540 227 257 587 347 -701 -1399 -1084 -1357 -1153 -1003 -777 -1081 -920 -844 363 750 518 933 734 610 521 751 302 597 891 1408 1191 967 462 -795 -162 -165 367 1168 859 89 -327 -648 -512 -764 -193 244 521 1236 413 148 -735 -1402 -1160 -1008 -1006 -679 -537 -517 -696 -273 188 294 1250 1326 1207 932 698 -281 -517 -292 -449 112 789 76 -679 -274 -714 -124 -176 -189 -343 -338 -106 -119 531 735 816 682 -20 -499 -410 -177 -237 312 359 618 1415 989 437 497 -119 227 141 245 -232 -194 73 -501 -448 -292 -261 -260 -54 -166 -700 -1081 -1241 -549 186 446 602 475 -198 -37 393 442 410 222 -113 -25 76 120 299 -42 607 717 538 263 45 -445 -553 204 707 774 881 970 -487 -327 131 151 363 241 -528 -1139 -903 -1172 -969 -843 -672 -923 -759 -698 288 597 431 785 647 535 468 683 277 543 798 1264 1113 933 460 -795 -161 -157 331 1030 815 88 -336 -691 -543 -781 -188 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