Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c987f3d2089bf1bf310aecafb2552749",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 98.694,
"b": 162.243,
"c": 116.496,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.850,2.100],
"number_observations": 723926,
"number_observations_unique": 54465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 60842,
"number_observations_unique": 4457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.936
},
{
"type": "R(meas)",
"value": 0.972
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [19.850,8.910],
"number_observations": 8478,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 55.800
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}