Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c96762c58a729732b02f73f3d886141",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.143,
"b": 59.700,
"c": 92.938,
"alpha": 90.00,
"beta": 105.99,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.870,2.499],
"number_observations_unique": 22167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 8376,
"number_observations_unique": 2494,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.158
},
{
"type": "R(meas)",
"value": 1.373
},
{
"type": "R(pim)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [43.870,9.010],
"number_observations": 1656,
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}