Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba7128a92d2e7582fbf9e881a48434ad",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 132.656,
"b": 127.050,
"c": 99.840,
"alpha": 90.0,
"beta": 123.5,
"gamma": 90.0
},
"wavelengths": [0.97910,1.73880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.5340,2.300],
"number_observations_unique": 61209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 23427,
"number_observations_unique": 4497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [48.530,10.290],
"number_observations": 4225,
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}