Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27546635fea2823a2adef67728b0892b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.545,
"b": 62.636,
"c": 74.509,
"alpha": 90.00,
"beta": 126.53,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.920,1.640],
"number_observations": 217110,
"number_observations_unique": 53110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.640],
"number_observations": 10527,
"number_observations_unique": 2687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.702
},
{
"type": "R(meas)",
"value": 0.812
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [47.920,8.810],
"number_observations": 1266,
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 59.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}