Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10ef3768d029a5ad0e9ba7c45f2c0fd6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.26,
"b": 82.39,
"c": 93.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.940,2.150],
"number_observations": 143163,
"number_observations_unique": 22754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 12166,
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.284
},
{
"type": "R(meas)",
"value": 1.401
},
{
"type": "R(pim)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.579
}
]
},
{
"resolution_limits": [39.940,8.860],
"number_observations": 2044,
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}