Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb987985103e488e8c4ac2e58c707e7a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 128.538,
"b": 206.898,
"c": 116.602,
"alpha": 90.00,
"beta": 110.17,
"gamma": 90.00
},
"wavelengths": [0.96500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.450,1.840],
"number_observations": 563519,
"number_observations_unique": 411516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.840],
"number_observations": 27428,
"number_observations_unique": 11449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [103.450,10.080],
"number_observations": 3679,
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}