Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "feff76ff21b89351e60487612a543a4c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.70,
"b": 59.46,
"c": 60.27,
"alpha": 90.000,
"beta": 91.737,
"gamma": 90.000
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.69,3.18],
"number_observations": 61440,
"number_observations_unique": 7190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 3.63
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
"refln_shells": [
{
"resolution_limits": [3.64,3.18],
"number_observations": 16448,
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.231
},
{
"type": "R(meas)",
"value": 1.319
},
{
"type": "I/SigI",
"value": 1.95
},
{
"type": "CC(1/2)",
"value": 0.42
}
]
},
{
"resolution_limits": [4.59,3.64],
"number_observations": 22953,
"number_observations_unique": 2500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "I/SigI",
"value": 3.65
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [31.69,4.59],
"number_observations": 22039,
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 5.16
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
}
]
}