Table : Efficiency comparison of steps required to locate global minima in space groups P 1, P 2 1 and P 2 1 /c and experimental structure in P 2 1 for PYRPMA, and XAFQAZ in space groups P 2 1 /c, F dd2 and I4 1 /a. Results are shown for the three independent trials of QR-BH at each of two temperatures and three seed:step ratios. Of the QR-BH parameter combinations tested here, the most consistent set over the two co-crystals is T = 3000 K with a large seed:step ratio (many QR seed structures, each run for a short basin hopping trajectory).