Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1b7c1dfd2c86fe54e46caa2393fc6676",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 77.33,
"b": 102.19,
"c": 67.37,
"alpha": 90.00,
"beta": 114.78,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.10,2.53],
"number_observations_unique": 14736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 92.7
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
"refln_shells": [
{
"resolution_limits": [2.60,2.53],
"number_observations_unique": 1171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.705
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
}
]
}