Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b851e29e1e611a91e2ae20a686d030ec",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.599,
"b": 102.455,
"c": 174.043,
"alpha": 90.00,
"beta": 101.25,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.360,2.200],
"number_observations": 369134,
"number_observations_unique": 117626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 27006,
"number_observations_unique": 8840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.663
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [85.360,9.840],
"number_observations": 4126,
"number_observations_unique": 1322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}