fix: upgrade to mzsignal v0.27.0

Cargo.toml

@@ -94,14 +94,14 @@ indexmap = { version = "2.0.0", features = ["serde"] }
 chrono = "0.4.37"
 bitflags = "2.5.0"
 identity-hash = "0.1.0"
-thiserror = "1.0.50"
+thiserror = "2.0.2"
 mzpeaks = { version = ">=0.23.0,<1.0.0" }
 
 # Internal parallelism
 rayon = { version = ">=1.8.0,<2.0", optional = true }
 
 # Internal signal processing
-mzsignal = { version = ">=0.26.0,<1.0.0", default-features = false, optional = true, features = [
+mzsignal = { version = ">=0.27.0,<1.0.0", default-features = false, optional = true, features = [
     'avx',
 ] }
 

src/spectrum/frame.rs

@@ -574,6 +574,18 @@ mod test {
 
                 let feat = &hits[0];
 
+                if false {
+                    let mut writer = io::BufWriter::new(std::fs::File::create("tmp/peaks_over_time.txt")?);
+                    let arrays = frame.arrays.as_ref().unwrap();
+                    for (im, arrs) in arrays.ion_mobility_dimension.iter().zip(arrays.arrays.iter()) {
+                        let mzs = arrs.mzs()?;
+                        let intensities = arrs.intensities()?;
+                        for (mz, int) in mzs.iter().zip(intensities.iter()) {
+                            writeln!(writer, "{mz}\t{int}\t{im}")?;
+                        }
+                    }
+                }
+
                 if false {
                     let mut writer = io::BufWriter::new(std::fs::File::create("tmp/features_graph.txt")?);
                     writer.write_all(b"feature_id\tmz\trt\tintensity\n")?;
@@ -585,9 +597,9 @@ mod test {
                 }
 
                 assert_is_close!(feat.start_time().unwrap(), 1.1628155190587295, 1e-3, "start_time");
-                assert_is_close!(feat.end_time().unwrap(), 1.2521668672561646, 1e-3, "end_time");
+                assert_is_close!(feat.end_time().unwrap(), 1.2536284405594418, 1e-3, "end_time");
                 assert_is_close!(feat.apex_time().unwrap(), 1.212666, 1e-3, "apex_time");
-                assert_eq!(feat.len(), 52);
+                assert_eq!(feat.len(), 62);
             }
         });
         Ok(())