Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "572ad6b1135e50c3a1d169641bccd943",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.219,
"b": 70.236,
"c": 85.632,
"alpha": 102.52,
"beta": 96.43,
"gamma": 112.39
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.510,2.150],
"number_observations": 218963,
"number_observations_unique": 64437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.150],
"number_observations": 15569,
"number_observations_unique": 4544,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.717
},
{
"type": "R(meas)",
"value": 2.059
},
{
"type": "R(pim)",
"value": 1.118
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.410
}
]
},
{
"resolution_limits": [81.510,9.840],
"number_observations": 2607,
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}