Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6e1d7bf624df4cce11fe72b9826d8dd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.059,
"b": 52.832,
"c": 44.547,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.120,1.510],
"number_observations": 128178,
"number_observations_unique": 39869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations": 4258,
"number_observations_unique": 1895,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.088
},
{
"type": "R(meas)",
"value": 1.386
},
{
"type": "R(pim)",
"value": 0.845
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [55.120,8.270],
"number_observations": 1006,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}