Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d140b8519d1bf364ac555d5c82a40eb4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.741,
"b": 68.328,
"c": 138.333,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.370,1.670],
"number_observations": 498305,
"number_observations_unique": 75158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 19742,
"number_observations_unique": 3603,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.051
},
{
"type": "R(meas)",
"value": 3.377
},
{
"type": "R(pim)",
"value": 1.437
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [138.370,8.830],
"number_observations": 3391,
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 57.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
}
]
}