Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b2188bd285d4e7c4567e10932379466",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.23,
"b": 72.68,
"c": 77.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89429],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.28,2.100],
"number_observations_unique": 22199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 9219,
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 0.978
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.572
}
]
},
{
"resolution_limits": [50.230,8.910],
"number_observations": 1137,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
}
]
}