Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66a0457bef5e74ebaeeb0a33014de293",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 76.115,
"b": 113.136,
"c": 124.206,
"alpha": 90.00,
"beta": 94.04,
"gamma": 90.00
},
"wavelengths": [0.97264],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84,1.600],
"number_observations_unique": 134154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 23507,
"number_observations_unique": 6625,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.038
},
{
"type": "R(meas)",
"value": 1.228
},
{
"type": "R(pim)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.398
}
]
},
{
"resolution_limits": [45.540,8.760],
"number_observations": 3248,
"number_observations_unique": 872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}