File name: Pandora55s1_QueensNY_20241120_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241121T045245.2Z 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_20241120_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: 20241120 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 20241120T150626.9Z 9090.629478 369 1 21.46 2 64.49 155.29 74.42 288.40 0.00 1 0.00 1 0 25 9.244e-03 6.272e-03 1.504e-03 6.613e-04 2.711086e-01 3.401752e-04 3.324093e-03 -6.000000e+00 5.390931e-03 223.18 -2.00 3.51 -2.00 316.48 0.00e+00 5.407859e-06 4.054158e-05 6.164980e-05 -6.000000e+00 2.397977e-04 279.88 -2.00 20.00 -2.00 315.83 0.00e+00 2.308 0.000 302.00 328.00 3 1.7590e+00 8.7743e-04 2.6650e-02 -6.0000e+00 1.3255e-02 3.0818e-02 9.8362e-04 1.3715e-02 -6.0000e+00 1.4413e-02 -8.5561e-03 5.7318e-04 6.8139e-03 -6.0000e+00 8.6102e-03 -3.6464e-04 2.6914e-04 1.9506e-03 -6.0000e+00 3.6439e-03 6.6752e-03 -3.4132e-04 2.0282e-05 2.6302e-05 -6.0000e+00 2.7542e-04 1.1860e-03 0.0000e+00 12 1 1 12 1 1 98.69 21.94 0.22 0.00119 -0.00138 114 51 1 5 0 186.570 26.11 19.97 21.94 21.58 37.4 1024.87 -1148 -2603 -2858 -4283 -2783 -369 -815 1631 -434 -676 -1759 494 123 481 234 -211 -472 -805 749 909 35 581 1551 814 713 82 -115 -885 30 1289 961 1923 1337 -863 -951 283 84 487 878 -294 -1283 -948 -1220 -992 -691 -618 -987 -521 -476 429 857 659 727 892 619 577 1014 398 535 812 1319 1274 1238 443 -655 -321 -49 323 1207 907 282 -259 -518 -603 -585 -101 229 560 1074 57 -79 -735 -1541 -1215 -1114 -1033 -854 -519 -513 -521 -262 257 291 1249 1472 1276 903 710 -331 -595 -330 -593 20 809 -18 -755 -383 -670 -79 -14 -112 -374 -217 -165 -126 640 803 825 659 -100 -571 -338 -131 -297 175 181 501 1439 980 450 449 33 267 140 193 -234 -225 182 -399 -506 -288 -264 -235 61 -178 -456 -524 -774 -456 -55 -123 265 -81 -135 -362 101 27 112 63 -59 -142 -254 242 304 12 202 537 294 257 31 -44 -334 11 461 349 695 528 -367 -401 114 35 211 449 -169 -798 -602 -809 -670 -467 -417 -664 -342 -306 271 553 451 507 657 477 438 783 312 416 620 1007 1014 1015 395 -590 -283 -42 272 1006 785 262 -250 -519 -599 -556 -92 196 460 853 48 -72 -723 -1607 -1297 -1208 -1151 -1014 -624 -633 -638 -319 300 323 1323 1531 1353 1019 858 -413 -782 -428 -751 25 963 -21 -935 -484 -890 -106 -19 -164 -556 -326 -241 -177 880 1041 1061 882 -139 -818 -496 -190 -420 246 250 656 1851 1266 597 617 47 388 208 289 -361 -363 295 -663 -846 -473 -431 -370 97 SS 20241120T151135.7Z 9090.633052 372 1 5.01 2 64.10 156.56 75.32 289.11 0.00 1 0.00 1 0 25 9.560e-03 6.374e-03 1.915e-03 8.776e-04 2.680184e-01 4.511216e-04 3.282608e-03 -6.000000e+00 5.575097e-03 223.18 -2.00 3.51 -2.00 316.39 0.00e+00 5.443576e-05 5.238095e-05 5.545000e-05 -6.000000e+00 2.479957e-04 279.88 -2.00 20.00 -2.00 315.74 0.00e+00 2.275 0.000 302.00 328.00 3 9.1210e-01 1.1627e-03 2.6284e-02 -6.0000e+00 1.3708e-02 2.6642e-02 1.3028e-03 1.3537e-02 -6.0000e+00 1.4905e-02 -1.1274e-02 7.5574e-04 6.7290e-03 -6.0000e+00 8.9044e-03 1.0699e-03 3.5281e-04 1.9294e-03 -6.0000e+00 3.7682e-03 1.6192e-02 -3.1636e-04 2.6965e-05 2.5861e-05 -6.0000e+00 2.8484e-04 1.4156e-03 0.0000e+00 12 1 1 12 1 1 0.91 21.94 0.21 0.00142 -0.00096 62 120 1 5 0 79.340 26.11 20.01 21.94 22.10 37.3 1026.87 -1774 -2137 -2949 -4980 -2213 -1411 235 569 1289 -1347 -669 266 1278 487 847 -736 -503 -83 4 712 -178 1619 1407 1130 73 3 -908 -620 -8 1127 1180 1724 1730 -1135 -451 244 397 261 673 -660 -1027 -1045 -1150 -925 -794 -756 -1071 -516 -583 406 731 732 984 1019 665 541 951 450 740 538 1534 984 1267 437 -765 -310 -147 497 1262 1019 151 -275 -915 -396 -526 -338 118 415 1300 159 4 -818 -1401 -1415 -1005 -1106 -732 -509 -344 -671 -110 288 309 1218 1438 1319 699 776 -432 -589 -482 -595 17 770 117 -785 -331 -667 -151 -27 -50 -348 -163 -101 -109 626 889 870 656 -39 -580 -327 -219 -287 188 217 469 1217 1101 426 512 -79 155 85 231 -298 -280 203 -421 -461 -190 -278 -206 75 -293 -395 -573 -958 -381 -225 37 99 248 -285 -144 57 295 119 237 -218 -159 -27 1 249 -65 582 510 399 28 1 -369 -243 -3 420 445 650 707 -502 -196 102 169 117 337 -374 -627 -688 -751 -616 -530 -504 -710 -350 -388 265 488 493 706 738 504 423 757 363 591 424 1205 775 1071 384 -682 -281 -125 410 1034 869 139 -263 -909 -388 -513 -318 104 350 1059 133 4 -794 -1441 -1496 -1118 -1267 -861 -608 -420 -818 -133 333 338 1274 1477 1434 781 928 -553 -768 -622 -746 21 907 138 -964 -429 -881 -202 -38 -72 -515 -244 -146 -153 854 1181 1146 871 -53 -827 -477 -317 -404 262 298 631 1556 1410 561 699 -115 223 126 345 -457 -451 327 -696 -768 -311 -453 -322 118 SS 20241120T151640.8Z 9090.636583 375 1 51.02 2 63.72 157.82 76.21 289.82 0.00 1 0.00 1 0 25 9.179e-03 6.440e-03 4.312e-04 1.961e-04 2.637123e-01 1.009383e-04 3.243717e-03 -6.000000e+00 5.352488e-03 223.18 -2.00 3.51 -2.00 316.40 0.00e+00 1.098577e-04 1.179142e-05 6.842393e-05 -6.000000e+00 2.381062e-04 279.87 -2.00 20.00 -2.00 315.75 0.00e+00 2.246 0.000 302.00 328.00 3 2.7192e-01 2.6019e-04 2.5940e-02 -6.0000e+00 1.3160e-02 2.0323e-02 2.9159e-04 1.3364e-02 -6.0000e+00 1.4311e-02 -9.3679e-03 1.6957e-04 6.6436e-03 -6.0000e+00 8.5490e-03 1.7224e-04 7.9171e-05 1.9077e-03 -6.0000e+00 3.6175e-03 3.1905e-02 -3.8535e-04 6.0387e-06 2.6121e-05 -6.0000e+00 2.7349e-04 1.9575e-03 0.0000e+00 11 8 0 10 0 0 6.60 21.94 0.22 0.00196 -0.00094 1433 271 1 5 0 35.220 26.11 20.00 21.94 22.66 37.5 1030.00 -1385 -2393 -3256 -4018 -2878 -959 -212 722 196 -888 -898 633 385 617 440 -398 -214 59 459 628 26 901 1306 792 648 2 -717 -843 177 1458 1332 1668 1468 -919 -867 193 192 553 547 -516 -1143 -967 -1132 -1088 -770 -693 -896 -752 -603 416 815 621 938 809 621 654 803 343 608 845 1410 1257 1156 429 -760 -247 -104 353 1354 919 186 -242 -606 -467 -752 -239 186 515 1194 293 -43 -749 -1566 -1296 -1128 -1062 -748 -525 -455 -646 -143 317 396 1328 1487 1278 904 768 -348 -573 -442 -526 6 814 35 -770 -340 -768 -102 -38 -133 -320 -288 -130 -44 585 856 842 686 -47 -570 -501 -244 -290 188 237 526 1455 1057 456 469 -37 278 143 257 -303 -206 116 -468 -476 -259 -238 -218 72 -221 -430 -615 -742 -483 -159 -35 131 37 -181 -186 132 87 157 119 -121 -69 19 150 212 9 313 455 287 249 1 -279 -339 66 519 480 642 613 -388 -362 82 78 252 278 -295 -702 -639 -741 -726 -515 -462 -594 -514 -403 273 544 418 673 585 469 508 637 276 484 662 1104 1028 973 374 -699 -222 -91 289 1098 810 175 -237 -592 -471 -727 -222 163 432 967 242 -38 -717 -1588 -1398 -1234 -1193 -894 -635 -565 -797 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