Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d47d835c0e84711c59fe3b344879b016",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.153,
"b": 84.790,
"c": 88.006,
"alpha": 90.00,
"beta": 131.08,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.540,1.350],
"number_observations": 767469,
"number_observations_unique": 127143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.350],
"number_observations": 22661,
"number_observations_unique": 7199,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.560
},
{
"type": "R(meas)",
"value": 1.860
},
{
"type": "R(pim)",
"value": 0.991
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 32.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [63.540,4.280],
"number_observations": 34001,
"number_observations_unique": 4957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 61.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}