Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "52a391cc5d896680f3ca9758d7fd2f3a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 47.481,
"b": 9.437,
"c": 22.621,
"alpha": 90.00,
"beta": 95.18,
"gamma": 90.00
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.200],
"number_observations": 7028,
"number_observations_unique": 2911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.200],
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 49.200
},
{
"type": "Redundancy",
"value": 1.500
}
]
},
{
"resolution_limits": [1.290,1.240],
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [1.350,1.290],
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.420,1.350],
"number_observations_unique": 291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.510,1.420],
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.630,1.510],
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [1.790,1.630],
"number_observations_unique": 311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.050,1.790],
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.590,2.050],
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [50.000,2.590],
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 2.500
}
]
}
]
}