Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d162533bec70ff6d781ec6f17fe6ff53",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.375,
"b": 95.375,
"c": 45.657,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.430,1.210],
"number_observations": 582943,
"number_observations_unique": 57582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.210],
"number_observations": 3071,
"number_observations_unique": 1540,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.020
},
{
"type": "R(meas)",
"value": 1.308
},
{
"type": "R(pim)",
"value": 0.805
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 50.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.399
}
]
},
{
"resolution_limits": [67.430,6.630],
"number_observations": 5139,
"number_observations_unique": 411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 90.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
}
]
}