Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79795a5638fbdc34c57bc6e963e01993",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.315,
"b": 95.315,
"c": 45.735,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.390,1.240],
"number_observations": 578808,
"number_observations_unique": 55008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.240],
"number_observations": 4966,
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.446
},
{
"type": "R(meas)",
"value": 1.757
},
{
"type": "R(pim)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 62.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.228
}
]
},
{
"resolution_limits": [67.390,6.790],
"number_observations": 4823,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 74.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}