Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1174e30a730cab1846a6c573f4f5956",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.150,
"b": 84.786,
"c": 88.036,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.68900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.15,1.46],
"number_observations_unique": 64587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [49.15,8.00],
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.7
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.49,1.46],
"number_observations_unique": 3134,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.556
},
{
"type": "R(meas)",
"value": 3.820
},
{
"type": "R(pim)",
"value": 1.393
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 14.4
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
}
]
}