Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "213acb2abadf8a3a956348f40aff4327",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.090,
"b": 60.137,
"c": 38.194,
"alpha": 90.00,
"beta": 93.57,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.000,1.500],
"number_observations_unique": 22523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 1042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "Completeness",
"value": 92.50
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [1.55,1.53],
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "Completeness",
"value": 95.50
},
{
"type": "Redundancy",
"value": 9.60
}
]
},
{
"resolution_limits": [1.58,1.55],
"number_observations_unique": 1087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations_unique": 1135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [1.65,1.62],
"number_observations_unique": 1139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 11.70
}
]
},
{
"resolution_limits": [1.69,1.65],
"number_observations_unique": 1121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.40
}
]
},
{
"resolution_limits": [1.73,1.69],
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 12.80
}
]
},
{
"resolution_limits": [1.78,1.73],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [1.83,1.78],
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [1.89,1.83],
"number_observations_unique": 1102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [1.96,1.89],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [2.04,1.96],
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [2.13,2.04],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [2.24,2.13],
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [2.38,2.24],
"number_observations_unique": 1132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 13.00
}
]
},
{
"resolution_limits": [2.56,2.38],
"number_observations_unique": 1144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.90
}
]
},
{
"resolution_limits": [2.82,2.56],
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 12.60
}
]
},
{
"resolution_limits": [3.23,2.82],
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [4.07,3.23],
"number_observations_unique": 1139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 12.10
}
]
},
{
"resolution_limits": [60.00,4.07],
"number_observations_unique": 1118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 94.60
},
{
"type": "Redundancy",
"value": 11.80
}
]
}
]
}