Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ef29feb2f861d6983cc2c2f49c58666",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.47,
"b": 70.30,
"c": 68.53,
"alpha": 90.00,
"beta": 118.04,
"gamma": 90.00
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.390,1.050],
"number_observations": 435184,
"number_observations_unique": 149683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 75.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 1218,
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 7.600
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [30.390,4.700],
"number_observations": 7843,
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}