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Dia entrapment peptide level#1065

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Cajac102 wants to merge 20 commits into
mainfrom
DIA_entrapment_peptide_level
Open

Dia entrapment peptide level#1065
Cajac102 wants to merge 20 commits into
mainfrom
DIA_entrapment_peptide_level

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@Cajac102

@Cajac102 Cajac102 commented Jun 5, 2026

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First Draft of DIA Entrapment module. Absolutely WIP, but push now to show during meeting.

-Added infrastructure
-Added first draft of main plot
-Added two FDP calculations that are shown in main plot

TBD:
-Paired method calculation needs file that is too big for github, will upload to server next week
-In depth plot: FDP vs FDR across different FDR levels

Comment on lines +95 to +102
def benchmarking(
self,
input_file: str,
input_format: str,
user_input: dict,
all_datapoints: Optional[pd.DataFrame],
input_file_secondary: str = None,
) -> Tuple[DataFrame, DataFrame, DataFrame]:
Comment on lines +32 to +35
def generate_intermediate(
self,
filtered_df: pd.DataFrame,
) -> pd.DataFrame:
Comment on lines +16 to +18
def generate_in_depth_plots(
self, performance_data: pd.DataFrame, parse_settings: Any, **kwargs
) -> Dict[str, go.Figure]:
cols_to_drop = [c for c in ("color", "hover_text", "scatter_size", "marker") if c in all_datapoints.columns]
all_datapoints_clean = all_datapoints.drop(columns=cols_to_drop)

f = open(os.path.join(self.t_dir_pr, "results.json"), "w")
This allows immediate feedback when AlphaDIA is selected.
"""
st.subheader("Input files")
st.markdown(open(variables.description_input_file_md, "r", encoding="utf-8").read())

# Display description if available
if hasattr(variables, "description_table_md") and os.path.exists(variables.description_table_md):
st.markdown(open(variables.description_table_md, "r", encoding="utf-8").read())
return "valid"
elif lower_bound > fdr:
return "invalid"
elif lower_bound <= fdr < upper_bound:
st.markdown(variables.texts.ShortMessages.submission_processing_warning)
try:
st.write(f"Follow your submission approval here: [{pr_url}]({pr_url})")
except UnboundLocalError:
"""Streamlit-based web interface for ProteoBench."""

import copy
import logging
import copy
import logging
import uuid
from typing import Any, Dict
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