Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c83933c3e30228e494ab34410a3b0d14",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.80,
"b": 104.39,
"c": 65.74,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.740,2.200],
"number_observations": 172451,
"number_observations_unique": 39359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 13680,
"number_observations_unique": 3320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "R(meas)",
"value": 0.585
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [65.740,9.070],
"number_observations": 2565,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}