Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6dd55b0c5061b6294b11da7ab6d6ac0f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.683,
"b": 64.711,
"c": 74.319,
"alpha": 90.00,
"beta": 125.83,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.710,2.080],
"number_observations": 112504,
"number_observations_unique": 26959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations": 7423,
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.797
},
{
"type": "R(meas)",
"value": 0.912
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [47.710,9.050],
"number_observations": 1266,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}