Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32400462e4446e437b292d197a0cd0ac",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.232,
"b": 56.136,
"c": 101.839,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.050,1.870],
"number_observations": 172749,
"number_observations_unique": 26508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 12002,
"number_observations_unique": 1825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(meas)",
"value": 1.008
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [29.050,8.380],
"number_observations": 2104,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 67.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}