File name: Pandora55s1_QueensNY_20231021_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231024T184803.6Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231021_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: 20231021 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 20231021T182536.6Z 8694.767785 275 1 10.26 2 57.03 211.40 90.43 126.86 0.00 1 0.00 1 0 25 1.978e-02 8.100e-03 6.521e-03 3.134e-03 2.504714e-01 1.633041e-03 3.036117e-03 -6.000000e+00 1.166105e-02 225.43 -2.00 3.51 -2.00 316.24 0.00e+00 -4.948788e-04 1.860394e-04 4.972864e-05 -6.000000e+00 5.229095e-04 283.58 -2.00 20.00 -2.00 315.55 0.00e+00 1.831 0.000 302.00 328.00 3 4.2124e+00 4.2168e-03 2.2231e-02 -6.0000e+00 2.8781e-02 2.4225e-02 4.7159e-03 1.2695e-02 -6.0000e+00 3.1223e-02 -4.7679e-04 2.7325e-03 6.2801e-03 -6.0000e+00 1.8648e-02 -2.2409e-03 1.2723e-03 1.7890e-03 -6.0000e+00 7.9457e-03 9.3804e-04 7.5742e-04 9.6494e-05 2.3882e-05 -6.0000e+00 5.9393e-04 4.7525e-03 0.0000e+00 12 9 1 12 37 1 79.86 22.70 0.21 0.00475 0.01044 4 5 1 5 0 2050.410 26.00 20.00 22.70 22.21 36.1 1026.08 -5441 8252 -8095 -4511 5146 53 9083 -1312 2339 -5193 29 -3928 -4765 2839 -2552 -1342 -568 4567 389 3910 -682 2402 -1760 866 287 3118 44 -865 1807 -417 3012 423 -1633 -2568 1747 -1114 -951 1150 -273 -1336 -932 -1220 -2048 -1123 -430 -1424 -769 -713 799 479 317 5 1705 853 1156 1234 917 622 1246 1562 1464 1615 -15 -651 -917 1021 179 1463 262 -564 -424 180 -495 -301 -6 21 1890 718 436 -1131 191 -806 -1326 -1687 -318 -924 -499 -652 -524 -435 67 433 633 1378 938 983 367 -192 -992 -357 -434 -508 1259 123 -365 -667 -593 -308 449 -3 -346 -238 -332 59 -112 525 769 805 -390 -905 -447 166 285 100 494 383 1010 797 329 588 616 414 211 266 -77 204 209 53 -717 -234 -669 -396 -389 -1071 1500 -1651 -835 823 9 1534 -267 490 -1182 6 -944 -1270 792 -806 -442 -192 1525 138 1374 -251 867 -675 340 117 1264 18 -339 668 -158 1160 176 -716 -1130 725 -479 -442 594 -160 -854 -626 -842 -1442 -787 -300 -991 -526 -480 531 323 221 4 1275 661 910 988 740 501 992 1244 1193 1378 -14 -603 -844 889 151 1218 231 -531 -418 181 -497 -294 -6 19 1557 584 367 -1029 184 -825 -1413 -1863 -362 -1095 -609 -809 -648 -527 77 475 664 1416 998 1102 438 -242 -1295 -463 -543 -609 1462 146 -451 -856 -781 -416 621 -4 -510 -352 -484 82 -151 679 990 1056 -535 -1285 -643 238 402 139 664 502 1285 1013 431 799 860 590 304 391 -117 317 331 84 -1160 -375 -1056 -611 -594 SS 20231021T182938.2Z 8694.770581 278 1 13.36 2 57.43 212.47 89.85 127.49 0.00 1 0.00 1 0 25 9.179e-03 6.439e-03 2.186e-03 1.109e-03 2.507524e-01 5.780900e-04 3.058595e-03 -6.000000e+00 5.408859e-03 225.43 -2.00 3.51 -2.00 316.12 0.00e+00 -1.331732e-05 6.369841e-05 4.971675e-05 -6.000000e+00 2.425835e-04 283.58 -2.00 20.00 -2.00 315.43 0.00e+00 1.851 0.000 302.00 328.00 3 2.6373e+00 1.4908e-03 2.2417e-02 -6.0000e+00 1.3350e-02 9.1397e-03 1.6652e-03 1.2743e-02 -6.0000e+00 1.4484e-02 -1.6158e-03 9.6142e-04 6.3080e-03 -6.0000e+00 8.6503e-03 -1.8162e-03 4.4457e-04 1.7878e-03 -6.0000e+00 3.6847e-03 4.4708e-03 5.3530e-04 3.4137e-05 2.4628e-05 -6.0000e+00 2.7557e-04 6.6526e-03 0.0000e+00 12 9 1 12 5 1 95.88 22.69 0.22 0.00665 0.01068 34 25 1 5 0 381.560 26.00 20.01 22.69 22.33 36.1 1026.74 -2751 -1453 -4574 -2069 -478 -665 946 806 -1538 -1277 276 757 -1364 807 -15 -383 357 1083 853 9 902 1248 220 681 153 143 -508 769 1550 1496 1723 1368 -1357 -805 373 415 -166 613 -812 -1345 -836 -1306 -1229 -930 -579 -1118 -547 -805 665 351 403 893 702 554 586 1078 217 789 927 1472 1309 1080 445 -408 -186 -35 495 1086 1096 181 -160 -733 -522 -546 -299 221 647 1326 358 -74 -771 -1501 -1381 -1012 -1048 -950 -540 -527 -640 -300 301 262 1227 1311 1233 766 768 -230 -594 -485 -587 -34 735 187 -908 -193 -766 80 81 13 -292 -131 -156 -119 404 898 849 656 -75 -622 -429 -200 -161 143 154 386 1213 1011 441 454 -32 244 40 271 -242 107 153 -413 -425 -426 -309 -245 30 -576 -313 -989 -401 -85 -119 182 173 -363 -307 66 180 -373 246 -5 -132 127 396 323 3 333 462 85 277 65 62 -215 304 616 597 688 592 -599 -371 164 185 -78 322 -485 -869 -579 -903 -866 -656 -407 -782 -372 -562 452 244 282 663 527 434 472 884 174 650 753 1193 1059 940 403 -373 -174 -31 417 903 943 168 -155 -739 -522 -544 -276 199 552 1085 298 -66 -746 -1544 -1460 -1125 -1200 -1121 -647 -648 -785 -364 350 288 1280 1336 1323 874 903 -290 -765 -618 -728 -40 854 225 -1137 -246 -999 108 112 19 -423 -192 -227 -167 539 1159 1084 870 -103 -887 -610 -282 -228 195 205 506 1556 1293 577 615 -44 349 59 398 -366 165 243 -654 -679 -690 -484 -380 45 SS 20231021T183502.7Z 8694.774337 281 1 50.38 2 57.99 213.90 89.06 128.35 0.00 1 0.00 1 0 25 9.677e-03 6.203e-03 2.017e-03 7.999e-04 2.543171e-01 4.147504e-04 3.092918e-03 -6.000000e+00 5.702680e-03 225.43 -2.00 3.51 -2.00 316.80 0.00e+00 -7.652721e-05 5.377081e-05 8.259084e-05 -6.000000e+00 2.557537e-04 283.58 -2.00 20.00 -2.00 316.08 0.00e+00 1.880 0.000 302.00 328.00 3 3.1017e+00 1.0800e-03 2.2776e-02 -6.0000e+00 1.4075e-02 1.3173e-02 1.2115e-03 1.2971e-02 -6.0000e+00 1.5270e-02 4.1786e-03 7.1216e-04 6.4134e-03 -6.0000e+00 9.1200e-03 -5.3723e-03 3.4066e-04 1.8163e-03 -6.0000e+00 3.8850e-03 2.7068e-03 5.0459e-04 2.4850e-05 2.3897e-05 -6.0000e+00 2.9052e-04 6.3044e-03 0.0000e+00 11 1 0 11 12 0 99.98 22.69 0.20 0.00630 0.01010 272 51 1 5 0 185.180 26.00 19.96 22.69 22.59 36.1 1028.53 -3126 -660 -4465 -2042 962 -742 2862 1616 -1208 -1038 443 547 -1691 1658 -1133 -800 -1063 1154 842 79 476 1553 294 479 134 603 -453 101 1112 1199 1825 1088 -1285 -737 613 170 185 589 -581 -1430 -1107 -1345 -1312 -1122 -552 -1214 -750 -702 524 552 468 380 1083 818 704 1094 380 742 906 1490 1466 1167 353 -437 -261 284 261 1227 965 143 -152 -781 -494 -473 -77 246 722 1209 354 124 -476 -1400 -1206 -1175 -1075 -782 -497 -610 -580 -233 196 487 1330 1393 1468 810 773 -318 -497 -383 -564 -58 855 159 -602 -274 -770 -101 15 -20 -341 -253 -160 -116 340 694 814 591 -57 -630 -432 -248 -167 74 83 291 1157 967 305 621 167 325 118 266 -366 -18 222 -358 -438 -258 -217 -280 54 -470 -100 -692 -288 124 -98 397 251 -205 -180 77 101 -353 378 -289 -215 -297 328 247 24 145 472 93 159 47 210 -156 33 348 377 604 386 -484 -276 220 62 74 269 -305 -829 -678 -849 -845 -722 -354 -777 -472 -435 320 341 301 258 760 593 522 825 291 563 680 1120 1132 947 303 -390 -230 238 209 972 809 130 -146 -770 -484 -452 -70 208 572 934 286 108 -448 -1413 -1268 -1280 -1222 -926 -608 -758 -720 -282 226 529 1368 1410 1538 904 925 -405 -655 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