Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53a0bf30745984ac8729a0ab281a6200",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 35.369,
"b": 118.433,
"c": 141.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.623,2.13],
"number_observations_unique": 17078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [70.52,9.05],
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.19,2.13],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.272
},
{
"type": "R(meas)",
"value": 3.543
},
{
"type": "R(pim)",
"value": 1.352
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
}
]
}