Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "523ddac4cda1b40a14b0091929a05b04",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 107.00,
"b": 52.16,
"c": 106.74,
"alpha": 90.00,
"beta": 95.97,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.14,1.330],
"number_observations_unique": 134241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.330],
"number_observations_unique": 9884,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.397
},
{
"type": "R(meas)",
"value": 1.564
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.498
}
]
},
{
"resolution_limits": [53.080,5.950],
"number_observations_unique": 1574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}