diff --git a/tools/battery/shelx_check.py b/tools/battery/shelx_check.py index fc38c29d9..b84b8a8a9 100644 --- a/tools/battery/shelx_check.py +++ b/tools/battery/shelx_check.py @@ -181,7 +181,7 @@ def run_shelxl(shelxl, name, cwd): k_top = None i = lst.rfind("Analysis of variance for reflections employed in refinement") if i >= 0: - m = re.search(r"\n\s+K\s+([\d. ]+)", lst[i:i + 3000]) + m = re.search(r"\n\s+K\s+([-\d. ]+)", lst[i:i + 3000]) k_top = num(m.group(1).split()[-1]) if m else None n4 = last(r"R1 =\s*[\d.]+ for\s+(\d+) Fo > 4sig") return {"shx_r1": num(last(r"R1 =\s*([\d.]+) for\s+\d+ Fo > 4sig")),