Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab5379a7fb188e8676b1073abe43f87e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.763,
"b": 46.792,
"c": 67.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.7460],
"number_observations_unique": 11690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.750],
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations_unique": 1141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations_unique": 1141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.070,1.970],
"number_observations_unique": 1162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.200,2.070],
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.380,2.200],
"number_observations_unique": 1164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.610,2.380],
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.990,2.610],
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.770,2.990],
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [40.000,3.770],
"number_observations_unique": 1284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
}
]
}