Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "833d9d2d5f1b45ccb67c91f12ae9eeb4",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 46.604,
"b": 149.336,
"c": 199.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 76520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.100],
"number_observations_unique": 7611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations_unique": 7688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.370,2.260],
"number_observations_unique": 7713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.490,2.370],
"number_observations_unique": 7686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.650,2.490],
"number_observations_unique": 7713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.850,2.650],
"number_observations_unique": 7687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.140,2.850],
"number_observations_unique": 7709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.590,3.140],
"number_observations_unique": 7652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.520,3.590],
"number_observations_unique": 7543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [50.000,4.520],
"number_observations_unique": 7518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
}
]
}