Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5142e5e1e515b2219b614582d4c069a2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.217,
"b": 117.854,
"c": 165.150,
"alpha": 90.0,
"beta": 90.4,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.280,1.850],
"number_observations": 775628,
"number_observations_unique": 169102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 36361,
"number_observations_unique": 8252,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.400
},
{
"type": "R(meas)",
"value": 2.748
},
{
"type": "R(pim)",
"value": 1.314
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.283
}
]
},
{
"resolution_limits": [39.280,10.130],
"number_observations": 5238,
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}