Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79d7bc852c5ec8f81d969a2f66d3e0a4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.888,
"b": 71.376,
"c": 120.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97914],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [120.820,2.400],
"number_observations": 127386,
"number_observations_unique": 21257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 12369,
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.613
},
{
"type": "R(meas)",
"value": 0.674
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [120.820,8.980],
"number_observations": 2460,
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}