Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc5d942ea950fd36182c3cb15d96f425",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.960,
"b": 72.456,
"c": 65.671,
"alpha": 90.00,
"beta": 98.22,
"gamma": 90.00
},
"wavelengths": [0.97921],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.460,2.400],
"number_observations": 63430,
"number_observations_unique": 17270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 5739,
"number_observations_unique": 1673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(pim)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.705
}
]
},
{
"resolution_limits": [72.460,8.980],
"number_observations": 827,
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}