Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fdcaa07769e11fdfe5a8953ed3e2752",
"space_group_name": "P 1",
"unit_cell": {
"a": 31.775,
"b": 34.686,
"c": 38.253,
"alpha": 73.93,
"beta": 72.85,
"gamma": 79.46
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.490],
"number_observations": 64741,
"number_observations_unique": 23265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.490],
"number_observations_unique": 1141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 9.88
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [1.540,1.520],
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.570,1.540],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.610,1.570],
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.640,1.610],
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.680,1.640],
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.720,1.680],
"number_observations_unique": 1146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.770,1.720],
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.820,1.770],
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.880,1.820],
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.940,1.880],
"number_observations_unique": 1185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.020,1.940],
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.110,2.020],
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.230,2.110],
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.370,2.230],
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.550,2.370],
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.800,2.550],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.210,2.800],
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [4.040,3.210],
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [50.000,4.040],
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
}
]
}