Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae3ae2712290b58e265e0f281a1145e7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.958,
"b": 64.570,
"c": 74.699,
"alpha": 90.00,
"beta": 126.09,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.280,1.670],
"number_observations": 210393,
"number_observations_unique": 51238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 9804,
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.698
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [47.280,9.020],
"number_observations": 1288,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}