Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5e6bb466f3fa2d6b01f815889c11460f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.350,
"b": 51.466,
"c": 78.922,
"alpha": 90.00,
"beta": 92.19,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.32,1.53],
"number_observations": 357151,
"number_observations_unique": 53240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.56,1.53],
"number_observations": 15462,
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.015
},
{
"type": "R(meas)",
"value": 2.183
},
{
"type": "R(pim)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
}
]
}