Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "326e7283a18f4a71ddb29d9f928951a2",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 61.992,
"b": 76.354,
"c": 118.110,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98792],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.960,2.240],
"number_observations": 58492,
"number_observations_unique": 13372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.279,2.240],
"number_observations": 2844,
"number_observations_unique": 654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [54.960,6.078],
"number_observations": 2850,
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}