feat(step8→step9): 源头透传坐标元数据，打通空间坐标全程流

src/core/water_quality_inversion_pipeline_GUI.py

@@ -795,6 +795,9 @@ class WaterQualityInversionPipeline:
             (self.logger.info if hasattr(self, 'logger') else print)(msg)
             return
 
+        # ── 源头透传：提取元数据列（左列），与数据行一一对应 ────────────
+        meta_df = df.iloc[:, :wavelength_col_idx].copy()
+
         wavelengths = np.array([float(c) for c in col_names[wavelength_col_idx:]], dtype=np.float64)
         data_matrix = df.iloc[:, wavelength_col_idx:].values.astype(np.float64)
         if data_matrix.ndim == 1:
@@ -814,12 +817,15 @@ class WaterQualityInversionPipeline:
             wl_arr = wavelengths
             a_arr = sample_result['a_lambda']
             bb_arr = sample_result['bb_lambda']
+            # 取出第 i 个样本的元数据行（如 X, Y, Lon, Lat 等），与光谱行一一对齐
+            meta_row = meta_df.iloc[i].to_dict() if i < len(meta_df) else {}
             for j, wl in enumerate(wl_arr):
                 rows_out.append({
                     'sample_id': f"sample_{i}",
                     'Wavelength': wl,
                     'a_lambda': a_arr[j],
                     'bb_lambda': bb_arr[j],
+                    **meta_row,
                 })
 
         result_df = pd.DataFrame(rows_out)