Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5fcfab93f020062ced9e61ecaed93e6e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.196,
"b": 108.566,
"c": 167.667,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.270,2.490],
"number_observations": 439569,
"number_observations_unique": 49134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.490],
"number_observations": 35355,
"number_observations_unique": 4147,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.498
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [45.270,9.960],
"number_observations": 6519,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}