Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fa84317cfd5938501807967fe748091",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.52,
"b": 37.47,
"c": 79.25,
"alpha": 90.00,
"beta": 100.62,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.920,1.950],
"number_observations_unique": 20772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 4846,
"number_observations_unique": 1502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [47.880,8.940],
"number_observations": 827,
"number_observations_unique": 256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}