Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18fcb6bc90553a4f21b85d1e2f3311b9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.075,
"b": 82.071,
"c": 32.257,
"alpha": 90.0,
"beta": 117.9,
"gamma": 90.0
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.120,1.160],
"number_observations": 107881,
"number_observations_unique": 32097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 65.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.160],
"number_observations": 86,
"number_observations_unique": 77,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "R(meas)",
"value": 0.925
},
{
"type": "R(pim)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 3.200
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.393
}
]
},
{
"resolution_limits": [82.120,6.380],
"number_observations": 1146,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 57.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}