Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5a2b47d7d3a48b0c296820ddf425374",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.406,
"b": 41.460,
"c": 110.755,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.220,1.050],
"number_observations": 294241,
"number_observations_unique": 60571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 824,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 12.700
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [29.220,4.700],
"number_observations": 5285,
"number_observations_unique": 966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}