Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be1769c66bbea951bd8e6072c04b00ea",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 88.84,
"b": 82.16,
"c": 128.63,
"alpha": 90.00,
"beta": 97.44,
"gamma": 90.00
},
"wavelengths": [0.97901],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.25,2.70],
"number_observations_unique": 50439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [36.25,12.08],
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 25.0
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.77,2.70],
"number_observations_unique": 3660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 1.022
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
}
]
}