Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3a50d94c8766328e9d0d26614ba88fc3",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 84.16,
"b": 84.16,
"c": 133.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.580,2.670],
"number_observations": 317207,
"number_observations_unique": 16060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.670],
"number_observations": 24589,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.557
},
{
"type": "R(meas)",
"value": 2.620
},
{
"type": "R(pim)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [35.580,11.940],
"number_observations": 2586,
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}