Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94694f1cd5b88fea61170377d65279e0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.68,
"b": 57.11,
"c": 114.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.830,2.010],
"number_observations": 147208,
"number_observations_unique": 23261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 11459,
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.604
},
{
"type": "R(meas)",
"value": 1.741
},
{
"type": "R(pim)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [31.830,8.990],
"number_observations": 1800,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}