Liquid water isotope measurements report for project FARLAB, run O17_test_03

FARLAB, University of Bergen, 21-Aug-2017 22:58:20

Table of Contents

1. Summary
2. Calibrated measurements
3. Calibration parameters
4. Preprocessing and corrections
5. Instrument stability
Appendix: Raw data for all vials


1. Summary

Project run ID :O17_test_03
Project name :FARLAB
Project type :internal
Customer name :Harald Sodemann (email contact: harald.sodemann@uib.no)
Instrument :HKDS2038
Analysis start :07-Aug-2017 15:37:08
Analysis end :10-Aug-2017 02:40:05
Number of samples :21
Injections/sample :15 (max. 15)
Number of injections:315
Method :FARLAB_fast
Calibration points :2
Operator name :Harald Sodemann (email contact: harald.sodemann@uib.no)


2. Calibrated measurements

Averaging over last 3 injections

Table 1: Calibrated measurement values per sample. Standard deviation calculated as standard deviation of the means. Last column provides quality flags as explained in the legend at the bottom.

Vial Sample name dD d18O d17O dxs e17Quality flags
2 EVAP 5.02± 0.10 5.03± 0.03 2.60± 0.05 -35.24± 0.24 -52.49± 50.01- - - - - -
3 VATS -126.32± 0.19 -16.31± 0.04 -8.60± 0.04 4.14± 0.38 43.78± 49.751 - - - - -
5 GSM1 -262.88± 0.27 -33.01± 0.08 -17.54± 0.07 1.17± 0.68 27.30± 82.541 - - - - -
6 DI -50.66± 0.22 -7.64± 0.01 -4.01± 0.02 10.43± 0.22 29.91± 19.491 - - - - -
7 SEAII 1.39± 0.18 0.30± 0.05 0.17± 0.03 -1.05± 0.41 8.22± 39.701 - - - - -
9 EVAP 5.27± 0.07 5.02± 0.01 2.59± 0.03 -34.88± 0.13 -59.53± 34.77- - - - - -
10 VATS -126.27± 0.08 -16.36± 0.03 -8.64± 0.06 4.59± 0.24 32.79± 57.861 - - - - -
12 GSM1 -263.07± 0.18 -33.05± 0.03 -17.57± 0.04 1.32± 0.29 17.14± 40.90- - - - - -
13 DI -50.72± 0.27 -7.61± 0.02 -4.00± 0.02 10.13± 0.31 24.79± 22.861 - - - - -
14 SEAII 1.43± 0.21 0.31± 0.06 0.17± 0.05 -1.07± 0.55 4.33± 60.68- - - - - -
16 EVAP 5.25± 0.14 5.06± 0.03 2.61± 0.03 -35.20± 0.27 -61.21± 32.35- - - - - -
17 VATS -126.27± 0.08 -16.33± 0.04 -8.63± 0.04 4.40± 0.30 30.53± 42.64- - - - - -
19 GSM1 -262.95± 0.09 -33.07± 0.01 -17.58± 0.03 1.60± 0.15 20.64± 28.28- - - - - -
20 DI -50.97± 0.08 -7.69± 0.05 -4.04± 0.06 10.59± 0.38 26.46± 69.671 - - - - -
21 SEAII 1.45± 0.10 0.35± 0.07 0.18± 0.07 -1.39± 0.57 -9.84± 78.70- - - - - -

Quality flag legend: (1) Humidity variation, (2) Large humidity correction, (3) Large spectroscopic variability, (4) Large memory effect, (5) Instrument temperature variability, (6) Picarro error codes

Download data file in CSV (comma separated values) format for import in Excel)
Figure 1: Calibrated data for all samples. Calibrated measurements using the 2-point calibration for all of the 15 samples. Black data points denote calibrated values and their standard deviation for d18O, dD, d-excess (permil) and delta17O (permeg) vs. sample number.


3. Calibration parameters

Standards:
1. VSMOW2 (dD: 0.00±0.30 permil, d18O: 0.00±0.02 permil, d17O: 0.00±0.06 permil)
2. SLAP2 (dD: -427.50±0.30 permil, d18O: -55.50±0.02 permil, d17O: -29.70±0.04 permil)
Standard VSMOW2 chosen for zero-point and SLAP2 for slope correction.
Standard VSMOW2 at vials 1 8 15
Standard SLAP2 at vials 4 11 18

Figure 2: Instrument drift during run: Drift of the raw measurements of the calibration standard during the run for d18O (top row) and dD (bottom row) for each of the 2 calibration standards. Red solid and dashed lines show the average value of the standard and its standard deviation which has been used for calibration of the entire run period.


4. Preprocessing and corrections

All vials included in the analysis

Table 2: Isotope dependency correction per sample. Correction for deviation from reference values at 20000 ppm raw measured water concentration in permil and relative to the measured value (in italics).

Sample name H2O dD % change d18O % change d17O % change
VSMOW2 1439.27± 92.64 -0.05± 0.00-26.71 -0.01± 0.003.17 0.00± 0.000.00
EVAP 1392.33± 138.75 -0.05± 0.00-0.93 -0.01± 0.00-0.24 0.00± 0.000.00
VATS 1263.93± 148.00 -0.04± 0.010.03 -0.01± 0.000.06 0.00± 0.00-0.00
SLAP2 1396.87± 112.67 -0.05± 0.000.01 -0.01± 0.000.02 0.00± 0.00-0.00
GSM1 1338.67± 134.97 -0.05± 0.000.02 -0.01± 0.000.03 0.00± 0.00-0.00
DI 1381.87± 89.59 -0.05± 0.000.10 -0.01± 0.000.14 0.00± 0.00-0.00
SEAII 880.20± 184.31 -0.03± 0.01-1.93 -0.01± 0.0019.43 0.00± 0.000.00
VSMOW2 1172.07± 102.08 -0.04± 0.00-15.79 -0.01± 0.002.66 0.00± 0.000.00
EVAP 1234.67± 113.96 -0.04± 0.00-0.79 -0.01± 0.00-0.21 0.00± 0.000.00
VATS 1101.67± 72.67 -0.04± 0.000.03 -0.01± 0.000.05 0.00± 0.00-0.00
SLAP2 1135.00± 108.77 -0.04± 0.000.01 -0.01± 0.000.02 0.00± 0.00-0.00
GSM1 1181.67± 89.54 -0.04± 0.000.02 -0.01± 0.000.03 0.00± 0.00-0.00
DI 1238.60± 76.75 -0.04± 0.000.09 -0.01± 0.000.12 0.00± 0.00-0.00
SEAII 869.47± 173.03 -0.03± 0.01-1.86 -0.01± 0.0024.98 0.00± 0.000.00
VSMOW2 1124.00± 103.53 -0.04± 0.00-26.96 -0.01± 0.002.85 0.00± 0.000.00
EVAP 1302.73± 109.68 -0.05± 0.00-0.83 -0.01± 0.00-0.22 0.00± 0.000.00
VATS 1195.33± 87.39 -0.04± 0.000.03 -0.01± 0.000.06 0.00± 0.00-0.00
SLAP2 1233.33± 155.43 -0.04± 0.010.01 -0.01± 0.000.02 0.00± 0.00-0.00
GSM1 1196.93± 169.72 -0.04± 0.010.02 -0.01± 0.000.03 0.00± 0.00-0.00
DI 1223.47± 130.24 -0.04± 0.000.08 -0.01± 0.000.12 0.00± 0.00-0.00
SEAII 901.33± 134.05 -0.03± 0.00-1.91 -0.01± 0.00-51.35 0.00± 0.000.00


Figure 3: Correction of raw measurements. In sequence, the panels show the correction of the raw isotope measurements for the dependency of the spectroscopy of dD, d18O and d17O on water concentration in the cavity for each injection. The bottom panel shows the deviation of the water concentration from the reference value at 20000ppmv raw water concentration of the used instrument. The correction function was determined from detailed laboratory tests at FARLAB.


5. Instrument stability

Vial Injections Name TDAS H2O H2O_SD baseline_shift slope_shift residuals ErrorCode
11-15 VSMOW2 41.96± 0.08 21439.27± 92.64 120.29± 5.39 76.36± 0.39 18.09± 0.08 1.84± 0.01000000000000000
216-30 EVAP 41.88± 0.04 21392.33±138.75 121.41± 4.27 76.12± 0.57 17.96± 0.12 1.84± 0.02000000000000000
331-45 VATS 41.90± 0.05 21263.93±148.00 123.23± 4.35 76.17± 0.67 18.62± 0.12 1.79± 0.02000000000000000
446-60 SLAP2 41.82± 0.04 21396.87±112.67 124.82± 4.50 76.04± 0.46 20.29± 0.11 1.73± 0.02000000000000000
561-75 GSM1 41.81± 0.04 21338.67±134.97 124.43± 3.78 76.03± 0.58 19.33± 0.17 1.77± 0.02000000000000000
676-90 DI 41.87± 0.04 21381.87± 89.59 124.79± 4.70 76.06± 0.38 18.39± 0.15 1.82± 0.01000000000000000
791-105 SEAII 41.85± 0.04 20880.20±184.31 131.99± 4.68 73.99± 0.80 17.70± 0.13 1.79± 0.02000000000000000
8106-120 VSMOW2 41.85± 0.05 21172.07±102.08 126.66± 5.96 75.24± 0.41 17.92± 0.09 1.82± 0.02000000000000000
9121-135 EVAP 41.85± 0.05 21234.67±113.96 126.68± 4.72 75.47± 0.49 17.84± 0.11 1.83± 0.02000000000000000
10136-150 VATS 41.87± 0.12 21101.67± 72.67 124.56± 5.08 75.59± 0.32 18.47± 0.09 1.78± 0.01000000000000000
11151-165 SLAP2 41.81± 0.03 21135.00±108.77 124.63± 4.07 75.03± 0.44 20.03± 0.15 1.71± 0.02000000000000000
12166-180 GSM1 41.79± 0.03 21181.67± 89.54 123.85± 4.80 75.36± 0.39 19.23± 0.11 1.75± 0.01000000000000000
13181-195 DI 41.82± 0.04 21238.60± 76.75 124.91± 6.53 75.44± 0.34 18.25± 0.12 1.81± 0.01000000000000000
14196-210 SEAII 41.84± 0.04 20869.47±173.03 126.13± 4.80 73.94± 0.74 17.72± 0.15 1.79± 0.02000000000000000
15211-225 VSMOW2 41.89± 0.04 21124.00±103.53 125.04± 5.42 74.90± 0.42 17.91± 0.11 1.82± 0.01000000000000000
16226-240 EVAP 41.99± 0.07 21302.73±109.68 125.06± 5.85 75.70± 0.48 17.91± 0.16 1.83± 0.02000000000000000
17241-255 VATS 41.94± 0.07 21195.33± 87.39 125.97± 3.82 75.91± 0.39 18.53± 0.10 1.79± 0.01000000000000000
18256-270 SLAP2 41.95± 0.11 21233.33±155.43 126.71± 5.51 75.34± 0.66 20.12± 0.17 1.72± 0.02000000000000000
19271-285 GSM1 41.91± 0.04 21196.93±169.72 124.10± 5.21 75.40± 0.71 19.24± 0.17 1.76± 0.02000000000000000
20286-300 DI 41.92± 0.06 21223.47±130.24 125.92± 4.92 75.37± 0.54 18.27± 0.14 1.81± 0.02000000000000000
21301-315 SEAII 41.89± 0.03 20901.33±134.05 131.17± 5.40 74.01± 0.55 17.75± 0.12 1.79± 0.02000000000000000


Figure 4: Instrument and fitting parameters during the run. Panels show for each injection the data acquisition system (DAS) temperature TDAS, the water concentration, the slope shift, the CH4 concentration,the fitting residuals, and the and H2O slope. Red solid and dashed line indicate the mean and standard deviation for each parameter during the run.


Appendix: Raw data for all vials


Figure panel description: From left to right, panles depict the raw measurement data for d18O, dD, d17O, and the water concentration from all injections with their standard deviation. Red marker color denotes injections that have been used in the calculation of the sample value.



Figure A1: Overview over all injections for vial 1 (VSMOV2). See above for panel description.



Figure A2: Overview over all injections for vial 2 (EVAP). See above for panel description.



Figure A3: Overview over all injections for vial 3 (VATS). See above for panel description.



Figure A4: Overview over all injections for vial 4 (SLAP2). See above for panel description.



Figure A5: Overview over all injections for vial 5 (GSM1). See above for panel description.



Figure A6: Overview over all injections for vial 6 (DI). See above for panel description.



Figure A7: Overview over all injections for vial 7 (SEAII). See above for panel description.



Figure A8: Overview over all injections for vial 8 (VSMOV2). See above for panel description.



Figure A9: Overview over all injections for vial 9 (EVAP). See above for panel description.



Figure A10: Overview over all injections for vial 10 (VATS). See above for panel description.



Figure A11: Overview over all injections for vial 11 (SLAP2). See above for panel description.



Figure A12: Overview over all injections for vial 12 (GSM1). See above for panel description.



Figure A13: Overview over all injections for vial 13 (DI). See above for panel description.



Figure A14: Overview over all injections for vial 14 (SEAII). See above for panel description.



Figure A15: Overview over all injections for vial 15 (VSMOV2). See above for panel description.



Figure A16: Overview over all injections for vial 16 (EVAP). See above for panel description.



Figure A17: Overview over all injections for vial 17 (VATS). See above for panel description.



Figure A18: Overview over all injections for vial 18 (SLAP2). See above for panel description.



Figure A19: Overview over all injections for vial 19 (GSM1). See above for panel description.



Figure A20: Overview over all injections for vial 20 (DI). See above for panel description.