Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37f2bd48fa40929010c78bda0833ce37",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.112,
"b": 27.408,
"c": 56.437,
"alpha": 90.00,
"beta": 99.86,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.780,1.180],
"number_observations": 174422,
"number_observations_unique": 31774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.180],
"number_observations": 421,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 17.200
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [35.780,6.470],
"number_observations": 1629,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 62.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}