Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f7bd287e0b6c413e44baa0a1c1295df",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.52,
"b": 93.92,
"c": 92.91,
"alpha": 90.00,
"beta": 107.88,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.740,1.950],
"number_observations": 218901,
"number_observations_unique": 64970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8519,
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.297
},
{
"type": "R(meas)",
"value": 6.316
},
{
"type": "R(pim)",
"value": 3.397
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 50.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [54.740,8.720],
"number_observations": 2840,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}