Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "376565f50417d6221fb2fa4e9c668864",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 47.548,
"b": 91.856,
"c": 312.142,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.160,2.970],
"number_observations": 238073,
"number_observations_unique": 29364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
"refln_shells": [
{
"resolution_limits": [3.150,2.970],
"number_observations": 37901,
"number_observations_unique": 4632,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.342
},
{
"type": "R(meas)",
"value": 1.430
},
{
"type": "R(pim)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [79.160,8.910],
"number_observations": 8473,
"number_observations_unique": 1257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
}
]
}