Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa0017eebc475a7a2b8d2effb75bdd62",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 85.907,
"b": 58.387,
"c": 68.867,
"alpha": 90.00,
"beta": 98.14,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.130,1.527],
"number_observations_unique": 48413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.530],
"number_observations": 23293,
"number_observations_unique": 6675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.775
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
},
{
"resolution_limits": [48.130,4.830],
"number_observations": 9564,
"number_observations_unique": 1667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}