Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "879734ef5dbe0ebc0a52683774a7b211",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.799,
"b": 106.522,
"c": 83.303,
"alpha": 90.000,
"beta": 94.634,
"gamma": 90.000
},
"wavelengths": [0.92000,2.80000,3.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.83,1.49],
"number_observations_unique": 142031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.52,1.49],
"number_observations_unique": 7042,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.688
},
{
"type": "R(pim)",
"value": 1.227
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [2.0,1.9],
"number_observations_unique": 6352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 62.6
}
]
}
]
}