Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0aa04fd9a10f96b4a8343a10c1dd61e2",
"space_group_name": "P 41",
"unit_cell": {
"a": 87.06,
"b": 87.06,
"c": 143.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91836],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.440,2.700],
"number_observations": 403450,
"number_observations_unique": 29241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 55590,
"number_observations_unique": 3869,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.155
},
{
"type": "R(meas)",
"value": 2.233
},
{
"type": "R(pim)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [28.440,8.960],
"number_observations": 11002,
"number_observations_unique": 798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}