Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f066ebac1480d595d38c01cb5a7ea662",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.037,
"b": 51.699,
"c": 61.531,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.850,1.200],
"number_observations": 121637,
"number_observations_unique": 30547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 5527,
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.695
},
{
"type": "R(meas)",
"value": 0.810
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [19.850,6.570],
"number_observations": 746,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}