Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b921cec225f42f7427e1e72d3dce3163",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.971,
"b": 27.330,
"c": 56.289,
"alpha": 90.00,
"beta": 100.02,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.440,1.150],
"number_observations": 174225,
"number_observations_unique": 29376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 66.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 113,
"number_observations_unique": 61,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 2.800
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [55.440,6.300],
"number_observations": 1741,
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}