Prepare PHREEQC Solutions Input File
Arguments
- samples_tidy
data.frame with samples in tidy format, i.e. parameters are columns and each row is one value
- title
user defined title (default: "")
- min_spaces
minimum spaces after parameter name based on longest parameter name (default: 3 spaces)
Examples
file_samples <- system.file("extdata/phreeqc-input.csv",
package = "geosalz.phreeqc")
samples <- read.csv2(file_samples)
samples_tidy <- geosalz.phreeqc::tidy_samples(samples) %>%
geosalz.phreeqc::convert_to_numeric_lab_values()
prepare_solutions_input(samples_tidy)
#> [1] "TITLE \nSOLUTION 1 30a9e918\n units ppm\n temp 12.500000\n pH 7.790000\n Fe.2. 0.980000\n Mn 0.370000\n C.4. 177.000000\n Ca 101.000000\n Mg 7.260000\n Na 16.300000\n K 1.320000\n N..3. 0.100000\n N.3. 0.005000\n N.5. 0.025000\n Cl 35.000000\n S.6. 120.000000\n Br 0.060000\n P 0.170000\n B 0.010000\nSOLUTION 2 1a0885dd\n units ppm\n temp 11.500000\n pH 7.730000\n Fe.2. 3.400000\n Mn 0.240000\n C.4. 370.000000\n Ca 99.100000\n Mg 13.800000\n Na 284.000000\n K 4.030000\n N..3. 1.000000\n N.3. 0.005000\n N.5. 0.025000\n Cl 490.000000\n S.6. 25.000000\n Br 0.420000\n P 0.260000\n B 0.140000\nSOLUTION 3 7a50a2a2\n units ppm\n pH 6.860000\n Fe.2. 4.300000\n Mn 0.560000\n C.4. 196.000000\n Ca 85.300000\n Mg 14.500000\n Na 35.500000\n K 1.900000\n N..3. 5.700000\n N.3. 0.005000\n N.5. 0.025000\n Cl 45.000000\n S.6. 150.000000\n Br 0.120000\n P 0.370000\n B 0.100000\nSOLUTION 4 603d9e1f\n units ppm\n temp 13.600000\n pH 7.440000\n Fe.2. 14.000000\n Mn 0.580000\n C.4. 262.000000\n Ca 290.000000\n Mg 45.700000\n Na 986.000000\n K 7.610000\n N..3. 2.500000\n N.3. 0.005000\n N.5. 0.025000\n Cl 2200.000000\n S.6. 11.000000\n Br 1.400000\n P 0.200000\n B 0.060000\nSOLUTION 5 3e5e5b83\n units ppm\n temp 10.800000\n pH 7.980000\n Fe.2. 0.090000\n Mn 0.010000\n C.4. 223.000000\n Ca 7.880000\n Mg 12.800000\n Na 77.000000\n K 5.930000\n N..3. 0.180000\n N.3. 0.030000\n N.5. 0.025000\n Cl 51.000000\n S.6. 3.000000\n Br 0.025000\n P 0.020000\n B 0.220000\nSOLUTION 6 a03ace20\n units ppm\n temp 11.400000\n pH 8.820000\n Fe.2. 3.100000\n Mn 0.160000\n Ca 97.800000\n Mg 10.500000\n Na 15.800000\n K 2.390000\n N..3. 3.300000\n N.3. 0.005000\n N.5. 0.025000\n Cl 13.000000\n S.6. 17.000000\n Br 0.025000\n P 0.030000\n B 0.060000\nSOLUTION 7 e127a3ca\n units ppm\n temp 10.700000\n pH 7.590000\n Fe.2. 2.800000\n Mn 0.730000\n C.4. 287.000000\n Ca 53.900000\n Mg 7.680000\n Na 192.000000\n K 2.120000\n N..3. 4.400000\n N.3. 0.005000\n N.5. 0.025000\n Cl 290.000000\n S.6. 6.100000\n Br 0.180000\n P 0.480000\n B 0.060000\nEND"