Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c181cda54f0906308b74305fb227f65",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.912,
"b": 56.678,
"c": 102.087,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.170,2.150],
"number_observations": 118487,
"number_observations_unique": 18126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.150],
"number_observations": 7950,
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.091
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.735
}
]
},
{
"resolution_limits": [29.170,9.600],
"number_observations": 1403,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 46.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}