Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f94f34f60a284455be0e7b186f37e4ae",
"space_group_name": "P 1",
"unit_cell": {
"a": 52.006,
"b": 57.963,
"c": 61.562,
"alpha": 70.36,
"beta": 66.43,
"gamma": 68.57
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.470,1.500],
"number_observations_unique": 89913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.500],
"number_observations": 28924,
"number_observations_unique": 13049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [42.470,4.760],
"number_observations": 5899,
"number_observations_unique": 2793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}