Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a646b188bef2bc9659ded4c5bc67cbeb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 97.482,
"b": 172.232,
"c": 275.271,
"alpha": 90.00,
"beta": 95.31,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.364,3.186],
"number_observations_unique": 80315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.467
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 91.364
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
"refln_shells": [
{
"resolution_limits": [3.630,3.186],
"number_observations_unique": 4016,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.161
},
{
"type": "R(meas)",
"value": 1.257
},
{
"type": "R(pim)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 76.2
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [91.364,10.672],
"number_observations_unique": 4014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}