Description
Calculate site vacancy and flag occupancy above a supplied capacity.
Geochemical results depend on analyte, matrix, dry/anhydrous basis, reference composition, isotope-ratio direction and censoring conventions. A normalized ratio or local correction is distinct from a validated mineral formula or geological interpretation. Operational extraction fractions and nominal site occupancies need their original analytical context.
Calculate site vacancy and flag occupancy above a supplied capacity.
When to use this tool
Use Mineral Formula Occupancy Residual when checking the stated geochemical reporting basis, local correction or reference convention.
How to use the tool and how it works
- Enter siteCapacity, assignedOccupancies. Use the units and conventions below.
- Run the tool. Correct any format, range, or cross-field input error before interpreting the output.
- Read assignedTotal, vacancy, overfilled. Inspect overfilled before interpreting the associated values.
Require siteCapacity>=0 and nonnegative occupancy entries. Sum assigned occupancies, return capacity-sum vacancy and overfilled when sum>capacity.1
| Input field | Meaning and units | Accepted input |
|---|---|---|
| siteCapacity | Site Capacity | Required. Finite number; minimum 0. |
| assignedOccupancies | Assigned Occupancies | Required. Array of finite number; maximum items 256. |
| Output field | Interpretation | Returned shape |
|---|---|---|
| assignedTotal | Assigned Total | Required. Finite number. |
| vacancy | siteCapacity-assignedTotal; negative when overfilled=true. | Required. Finite number. |
| overfilled | Overfilled | Required. Boolean. |
{
"input": {
"siteCapacity": 2,
"assignedOccupancies": [
0.8,
0.9
]
},
"output": {
"assignedTotal": 1.7000000000000002,
"vacancy": 0.2999999999999998,
"overfilled": false
}
}Limitations and assumptions
- Negative vacancy is retained; site identities, charge balance and crystallographic feasibility are not verified.
- Inputs must satisfy both the field types and the cross-field conditions above. Invalid input causes an error; a successful false flag or documented placeholder is a different result.
- Numeric calculations use binary floating point unless exact decimal-integer arithmetic is explicitly stated. No hidden measurement tolerance or decimal rounding is added; nonfinite or out-of-contract results are rejected. Numeric signed-zero results are exported as zero.
Alternative or Complementary methods
Use verified analytical methods, reference materials and appropriate complete geochemical models with qualified laboratory interpretation for actual results and safe handling.
References
Similar or alternative tools
- Mineral Oxygen Basis Factor
Scale cation moles to a supplied oxygen basis.
- Geochemical Single Element Closure Residual
Calculate the signed mass-closure residual for one element.