NMR Water Suppression

Screen NMR water-window residual intensity relative to a reference region.

Description

NMR water-suppression screening expresses residual water signal relative to a reference.

NMR water-suppression screening expresses residual water signal relative to a reference. The caller supplies the acceptable percentage.1

Screen NMR water-window residual intensity relative to a reference region.

When to use NMR Water Suppression

Use this tool to screen NMR water-window residual intensity relative to a reference region.

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 NMR Water Suppression and understand its results

  1. 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.
  2. Enter waterWindowIntegral, referenceRegionIntegral, maximumResidualPercent using the field table and calculation rules, then run the tool.
  3. Read residualPercent, passes. The explanation below defines the units, signs, ordering and any flags or placeholder values.
  4. 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 fieldMeaningValue type; see rules belowRequirement
waterWindowIntegralWater window integralnumberRequired
referenceRegionIntegralReference region integralnumberRequired
maximumResidualPercentMaximum residual percentnumberRequired

Enter nonnegative water signal, positive reference signal and finite percentage maximum. Return residual percentage and inclusive ≤maximum flag.

residual%=100 waterSignal/referenceSignal

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

Output fieldMeaningValue type
residualPercentResidual percentnumber
passesPassesboolean
json
{
  "input": {
    "waterWindowIntegral": 5,
    "referenceRegionIntegral": 100,
    "maximumResidualPercent": 10
  },
  "output": {
    "residualPercent": 5,
    "passes": true
  }
}

Limitations and assumptions

No spectrum filtering or pulse-sequence adjustment is performed. The criterion may be negative and is not an embedded experimental standard.

Numeric inputs must be finite. Follow the calculation-specific rules for overflow, underflow and exceptional cases. 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 NMR Relaxation Delay: Check NMR relaxation delay against an injected T1 multiple. For a complementary task, use NMR Bucket Integrals: Bin NMR spectral integrals by configurable chemical-shift width.

References

  1. NMR Water Suppression — tool.io

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