Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "874795e3171df7f8de6798f48a160ec0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.92,
"b": 64.75,
"c": 64.47,
"alpha": 90.00,
"beta": 91.26,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.240,1.900],
"number_observations": 161697,
"number_observations_unique": 40168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 6854,
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 82.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [37.240,9.110],
"number_observations": 1425,
"number_observations_unique": 392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}