Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8de6437f77b2c1831c72dfd60596db05",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 201.125,
"b": 51.716,
"c": 168.659,
"alpha": 90.000,
"beta": 92.494,
"gamma": 90.000
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.772,2.15],
"number_observations_unique": 94220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [48.72,11.80],
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.19,2.15],
"number_observations_unique": 4144,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.802
},
{
"type": "R(meas)",
"value": 4.967
},
{
"type": "R(pim)",
"value": 3.161
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.163
}
]
}
]
}