Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "75b1f8b6d71f5795cbb594b53e01eed4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.834,
"b": 48.217,
"c": 70.778,
"alpha": 90.00,
"beta": 91.04,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.850,1.550],
"number_observations": 299351,
"number_observations_unique": 44009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 2142,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.061
},
{
"type": "R(meas)",
"value": 2.274
},
{
"type": "R(pim)",
"value": 0.937
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.384
}
]
},
{
"resolution_limits": [39.850,8.490],
"number_observations_unique": 298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}