Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "629d56f5a6ef7226cc7017f4df968cdf",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 45.620,
"b": 53.020,
"c": 112.959,
"alpha": 90.00,
"beta": 100.71,
"gamma": 90.00
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.89,1.900],
"number_observations_unique": 20163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 5743,
"number_observations_unique": 1304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.577
},
{
"type": "R(pim)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.562
}
]
},
{
"resolution_limits": [47.840,9.110],
"number_observations": 991,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}