Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10c3d7b65c489b8e4f0e1ffb7a419548",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.822,
"b": 63.901,
"c": 74.620,
"alpha": 90.00,
"beta": 125.74,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.820,2.390],
"number_observations": 73006,
"number_observations_unique": 17756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.390],
"number_observations": 6990,
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.731
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [47.820,8.940],
"number_observations": 1328,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}