Updated benchmark for system tests

Since the final profile changed slightly, needed to update the benchmark for
the system tests. Took this opportunity to run the system tests on a single
MS iteration, instead of the three that were before.

Author: GuiMacielPereira

src/mvesuvio/analysis_reduction.py

@@ -355,7 +355,6 @@ def _set_kinematic_arrays(self, dataX):
 
     def _set_y_space_arrays(self):
 
-        # Extend range for better third derivative
         delta_Q = self._deltaQ[np.newaxis, :, :]
         delta_E = self._deltaE[np.newaxis, :, :]
         masses = self._masses.reshape(-1, 1, 1)

tests/data/analysis/benchmark/stored_spec_144-182_iter_1_GC_MS.npz

@@ -79,7 +79,7 @@ class ForwardAnalysisInputs(SampleParameters):
             [-3, 1],
         ]
     constraints = ()
-    noOfMSIterations = 3  # 4
+    noOfMSIterations = 1  # 4
     MSCorrectionFlag = True
     GammaCorrectionFlag = True
 

tests/data/analysis/benchmark/stored_spec_144-182_iter_3_GC_MS.npz

@@ -37,7 +37,7 @@ def _run(cls):
     def _load_benchmark_results(cls):
         benchmarkPath = Path(__file__).absolute().parent.parent.parent / "data" / "analysis" / "benchmark"
         benchmarkResults = np.load(
-            str(benchmarkPath / "stored_spec_144-182_iter_3_GC_MS.npz")
+            str(benchmarkPath / "stored_spec_144-182_iter_1_GC_MS.npz")
         )
         cls._benchmarkResults = benchmarkResults