To improve the grain production efficiency in Shaanxi Province, relevant data from 2000 to 2016 were collected and a index system constructed. The grain production efficiency in Shaanxi Province was calculated by data envelopment model. On this basis, main factors that affected grain production in Shaanxi Province were analyzed by SPSS software to conduct multiple linear regression. The results showed that the technical efficiency of grain production in Shaanxi Province from 2000 to 2016 was 0.986 2, and there was still room for improvement. The grain acreage, the amount of pure fertilizers used in agricultural production and the total power of agricultural machinery were positively correlated with the grain production technology. The grain production labor force was negatively correlated with the grain production efficiency. Therefore, we should enlarge the area of grain planting, improve the labor efficiency of grain production, control reasonably of the input of chemical fertilizer, increase the quantity of agricultural machinery in grain production, increase investment in grain production technology, improve the conditions of agricultural production, promote large-scale food production so as to enhance the grain production efficiency in Shaanxi Province.