Inclusion of Qmin and Qmax and update test data

news/qmin_qmax.rst

@@ -0,0 +1,24 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* Inclusion of `Qmin` and `Qmax` after mask is applied
+* Test data has been modified so tests can pass
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

src/diffpy/fourigui/fourigui.py

@@ -484,7 +484,7 @@ def applycutoff(self):
             r2_outer = qmax**2
             i, j, k = np.meshgrid(np.arange(xdim), np.arange(ydim), np.arange(zdim))
             r2 = (i - xdim // 2) ** 2 + (j - ydim // 2) ** 2 + (k - zdim // 2) ** 2
-            mask = (r2 <= r2_inner) | (r2 >= r2_outer)  # True if voxel is out of range
+            mask = (r2 < r2_inner) | (r2 > r2_outer)  # True if voxel is out of range
             sphere[mask] = np.nan  # therefore set to np.nan if out of range
 
             if self.space.get():