Analytical Chemistry

Spectroscopy

• UV-Vis Spectroscopy: Electronic transitions quantification
• Infrared (IR) Spectroscopy: Functional group identification
• Nuclear Magnetic Resonance (NMR): Molecular structure elucidation
• Mass Spectrometry (MS): Molecular weight and fragmentation analysis

Method Validation Parameters

# Example: Calculating method validation metrics
import numpy as np

def validate_method(known_concentrations, measured_values):
    """Validate analytical method performance."""
    recovery = (np.mean(measured_values) / np.mean(known_concentrations)) * 100
    rsd = (np.std(measured_values) / np.mean(measured_values)) * 100
    correlation = np.corrcoef(known_concentrations, measured_values)[0, 1]
    
    return {
        'accuracy': recovery,
        'precision': rsd,
        'linearity': correlation ** 2
    }

Quality Control

• Blank measurements: Background correction
• Standard additions: Matrix effect compensation
• Duplicate analyses: Precision monitoring
• Certified reference materials: Calibration verification