Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc9b0de03fe590a8b48fe02fe259778a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 136.067,
"b": 299.946,
"c": 145.621,
"alpha": 90.00,
"beta": 113.17,
"gamma": 90.00
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.850],
"number_observations_unique": 247646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.850],
"number_observations_unique": 22724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.070,2.950],
"number_observations_unique": 24628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.210,3.070],
"number_observations_unique": 24996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.380,3.210],
"number_observations_unique": 25071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.590,3.380],
"number_observations_unique": 25019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.870,3.590],
"number_observations_unique": 25029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.260,3.870],
"number_observations_unique": 25047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.870,4.260],
"number_observations_unique": 25083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [6.140,4.870],
"number_observations_unique": 25037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [50.000,6.140],
"number_observations_unique": 25012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}