Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "51136eef28b8dee275fe619745eedc7b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 100.44,
"b": 59.15,
"c": 111.12,
"alpha": 90.00,
"beta": 95.11,
"gamma": 90.00
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.34,2.00],
"number_observations_unique": 88190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [55.34,10.77],
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.04,2.00],
"number_observations_unique": 4512,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.063
},
{
"type": "R(meas)",
"value": 2.433
},
{
"type": "R(pim)",
"value": 1.280
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
}
]
}