Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1be2fca40c7c1d2d49b11e77ae4c9d5a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.19,
"b": 51.98,
"c": 85.30,
"alpha": 90.00,
"beta": 92.92,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.020,2.000],
"number_observations": 107567,
"number_observations_unique": 31503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 8166,
"number_observations_unique": 2312,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.330
},
{
"type": "R(meas)",
"value": 2.753
},
{
"type": "R(pim)",
"value": 1.453
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.358
}
]
},
{
"resolution_limits": [44.020,8.940],
"number_observations": 1232,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}