Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b752be60ee1313f99f0e9dbc5412f31",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.219,
"b": 70.367,
"c": 85.533,
"alpha": 102.41,
"beta": 96.27,
"gamma": 112.45
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.750,2.960],
"number_observations": 76174,
"number_observations_unique": 24003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
"refln_shells": [
{
"resolution_limits": [3.140,2.960],
"number_observations": 10635,
"number_observations_unique": 3703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.922
},
{
"type": "R(meas)",
"value": 1.230
},
{
"type": "R(pim)",
"value": 0.803
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.231
}
]
},
{
"resolution_limits": [81.750,8.870],
"number_observations": 3246,
"number_observations_unique": 941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
}
]
}