Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e99c6fb54e05c2d1e12cdb2f8bdd1246",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.680,
"b": 45.320,
"c": 83.397,
"alpha": 90.00,
"beta": 102.38,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.420,1.830],
"number_observations": 138434,
"number_observations_unique": 40437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 10121,
"number_observations_unique": 2952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.974
},
{
"type": "R(pim)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [28.420,8.180],
"number_observations": 1630,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 56.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}