Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "666bc281cfc34c7dfa5eb42473306e5a",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.501,
"b": 95.501,
"c": 45.689,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.520,1.250],
"number_observations": 578560,
"number_observations_unique": 50642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 5802,
"number_observations_unique": 1297,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.460
},
{
"type": "R(meas)",
"value": 1.658
},
{
"type": "R(pim)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 45.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [67.520,6.730],
"number_observations": 5095,
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 76.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}