ESI Additive Screen

Check ESI mobile-phase additives against the caller’s validated compatibility list.

Description

An ESI additive audit compares used names with a caller-maintained approved list.

An ESI additive audit compares used names with a caller-maintained approved list. Matching ignores surrounding whitespace and letter case.^[1]

Check ESI mobile-phase additives against the caller’s validated compatibility list.

When to use ESI Additive Screen

Use this tool to check ESI mobile-phase additives against the caller’s validated compatibility list.

Prepare the measured profile, formula counts, upstream model outputs or caller-defined reference criteria requested. Keep paired entries aligned and units, sample basis and preprocessing consistent.

How to use ESI Additive Screen and understand its results

Prepare the measured profile, formula counts, upstream model outputs or caller-defined reference criteria requested. Keep paired entries aligned and units, sample basis and preprocessing consistent.
Enter usedAdditives, approvedAdditives using the field table and calculation rules, then run the tool.
Read incompatibleAdditives, approvedCount, compatible. The explanation below defines the units, signs, ordering and any flags or placeholder values.
If the tool reports an input issue, correct the values and run it again. Apply the stated assumptions when interpreting a successfully returned result.

Input field	Meaning	Value type; see rules below	Requirement
usedAdditives	Used additives	list of string	Required
approvedAdditives	Approved additives	list of string	Required

Enter used and approved string lists. Trim and lowercase for matching; return original unmatched entries and matched-entry count. Repeated used entries count separately, and an empty used list is compatible.

unmatched={used entry: normalized name absent from approved set}

Units, indexing, boundary conditions and exceptional cases are defined in the calculation rules above.

Output field	Meaning	Value type
incompatibleAdditives	Incompatible additives	list of string
approvedCount	Approved count	number
compatible	Compatible	boolean

json

{
  "input": {
    "usedAdditives": [
      "formate",
      "acetate"
    ],
    "approvedAdditives": [
      "formate",
      "acetate",
      "water"
    ]
  },
  "output": {
    "incompatibleAdditives": [],
    "approvedCount": 2,
    "compatible": true
  }
}

Limitations and assumptions

No chemical database or instrument compatibility model is used. Empty labels are not specially rejected, and approval depends entirely on the supplied list.

Numeric inputs must be finite. Follow the calculation-specific rules for overflow, underflow and exceptional cases. Lists are limited to 100,000 entries; the rules above may require smaller limits. Missing required fields, extra fields, wrong value types and violations of the calculation rules are input errors. A successfully returned false flag is an evaluated outcome; its meaning is explained above.

Alternative or Complementary methods

Use Chromatography Mode Screen: Screen chromatography mode from caller-defined polarity boundaries. For a complementary task, use Matrix Ion Suppression: Quantify matrix-induced ion suppression or enhancement using a post-extraction spike.

References

ESI Additive Screen — tool.io

Similar or alternative tools

Chromatography Mode Screen
Screen chromatography mode from caller-defined polarity boundaries.
Matrix Ion Suppression
Quantify matrix-induced ion suppression or enhancement using a post-extraction spike.