Calibration Creation - Automated Standards Preparation¶

Framework for automated preparation and analysis of calibration standards.

Overview¶

The calibration creation module provides automated preparation of calibration curves through systematic dilution and analysis of standard solutions. Currently implemented as a framework for future development.

Current Implementation¶

Available Modules¶

from ChemstationAPI import ChemstationAPI
from SIA_API.methods import PreparedSIMethods
from SIA_API.devices import SyringeController, ValveSelector

Status: Framework prepared, implementation in progress.

Planned Functionality¶

Calibration Types¶

Linear Calibration Series - Automated dilution from stock solution - Configurable concentration range - Multiple calibration points

Matrix-Matched Standards - Sample matrix dilution series - Interference compensation - Method validation standards

Multi-Component Calibration - Multiple analytes in single run - Cross-validation standards - Quality control samples

Dilution Strategies¶

Serial Dilution: - Sequential 1:2, 1:5, 1:10 dilutions - Automatic volume calculations - Precision tracking

Parallel Dilution: - Independent dilutions from stock - Higher precision for each point - Resource optimization

Custom Ratios: - User-defined dilution factors - Non-linear concentration series - Specialized applications

Framework Structure¶

Core Components¶

Concentration Calculator: - Volume calculations for target concentrations - Stock solution management - Dilution factor optimization

Preparation Workflow: - SIA-based automated dilution - Mixing and homogenization - Sample tracking

Analysis Integration: - CE method execution - Data collection - Quality validation

Configuration Template¶

@dataclass
class CalibrationConfig:
    # Stock solution
    stock_concentration: float
    stock_vial: int

    # Calibration points
    target_concentrations: List[float]
    target_vials: List[int]

    # Volumes
    final_volume: int = 1000  # µL

    # Analysis
    method_name: str = "Calibration_Method"
    replicate_count: int = 3

Workflow Template¶

class CalibrationCreator:
    def __init__(self, config, chemstation, sia):
        self.config = config
        self.chemstation = chemstation
        self.sia = sia

    def calculate_dilutions(self):
        """Calculate volumes for each calibration point"""
        # Implementation pending

    def prepare_standards(self):
        """Automated dilution preparation"""
        # Implementation pending

    def run_calibration_sequence(self):
        """Execute complete calibration analysis"""
        # Implementation pending

    def validate_linearity(self):
        """Post-analysis validation"""
        # Implementation pending

Future Implementation¶

Planned Features¶

Automated Calculations: - Dilution volume optimization - Concentration verification - Error propagation analysis

Quality Control: - Blank measurements - Duplicate analysis - Linearity validation

Data Processing: - Peak area integration - Calibration curve fitting - R² calculation and validation

Report Generation: - Calibration curve plots - Statistical analysis - Method validation reports

Integration Points¶

ChemStation Integration: - Method parameter optimization - Sequence creation from calibration points - Automated data processing

SIA Integration: - Precision dilution protocols - Cross-contamination prevention - Automated cleaning procedures

Development Status¶

Current: Basic import structure Next Phase: Dilution calculation engine Future: Complete automation with validation

Usage (When Complete)¶

# Configuration
config = CalibrationConfig(
    stock_concentration=1000.0,  # mg/L
    stock_vial=1,
    target_concentrations=[1.0, 5.0, 10.0, 50.0, 100.0],
    target_vials=[10, 11, 12, 13, 14]
)

# Create calibration
calibrator = CalibrationCreator(config, chemstation, sia)
calibrator.calculate_dilutions()
calibrator.prepare_standards()
calibrator.run_calibration_sequence()

Technical Requirements¶

Hardware: - SIA system for precise dilutions - CE system for analysis - Sufficient vial positions

Software: - ChemStation API integration - SIA API for liquid handling - Data processing capabilities

Standards: - Validated stock solutions - Appropriate solvents - Quality control materials