Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38250a7c4d7df185c69e929a6c25f8e4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.871,
"b": 37.503,
"c": 62.750,
"alpha": 90.00,
"beta": 95.42,
"gamma": 90.00
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.66,2.000],
"number_observations_unique": 15192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.588
},
{
"type": "R(meas)",
"value": 2.742
},
{
"type": "R(pim)",
"value": 0.895
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [47.600,8.940],
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}