Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c56307ffab1ac0a9feef09c42cc334b",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.337,
"b": 95.337,
"c": 45.757,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.400,1.150],
"number_observations": 586812,
"number_observations_unique": 57933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 78.800
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 325,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.797
},
{
"type": "R(pim)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 8.500
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.175
}
]
},
{
"resolution_limits": [67.400,6.280],
"number_observations": 6238,
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 99.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}