Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e290ac871e92d7c7ae640704d00a1a89",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.776,
"b": 72.359,
"c": 65.602,
"alpha": 90.00,
"beta": 109.72,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.490,2.200],
"number_observations": 163114,
"number_observations_unique": 21973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 13544,
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.135
},
{
"type": "R(meas)",
"value": 1.226
},
{
"type": "R(pim)",
"value": 0.460
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [46.490,9.070],
"number_observations": 2159,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}