Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb1149dd88922d565e4ef1a29ea9b54a",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.967,
"b": 120.514,
"c": 126.290,
"alpha": 90.44,
"beta": 95.15,
"gamma": 90.20
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.870,2.650],
"number_observations": 191573,
"number_observations_unique": 104762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.650],
"number_observations": 9673,
"number_observations_unique": 5197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "R(meas)",
"value": 1.182
},
{
"type": "R(pim)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.354
}
]
},
{
"resolution_limits": [43.870,14.510],
"number_observations": 1121,
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}