Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b96abb920ab9dd8194f111dde46710d5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.709,
"b": 62.078,
"c": 53.047,
"alpha": 90.00,
"beta": 106.67,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.830,1.470],
"number_observations": 163429,
"number_observations_unique": 47012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.463
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [42.830,8.050],
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 80.5
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}