Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "510ddad9d3da5542031f9ca9036c7004",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.53,
"b": 56.50,
"c": 101.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.9400,1.600],
"number_observations": 283527,
"number_observations_unique": 42387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 19375,
"number_observations_unique": 3096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.837
},
{
"type": "R(meas)",
"value": 0.913
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [55.530,7.160],
"number_observations": 3545,
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 47.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}