Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b133b96b27eee75aea232ad8bebb5a9b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.718,
"b": 148.450,
"c": 172.137,
"alpha": 90.00,
"beta": 92.44,
"gamma": 90.00
},
"wavelengths": [0.97929],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.773,3.203],
"number_observations": 484523,
"number_observations_unique": 70446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.258,3.203],
"number_observations": 25503,
"number_observations_unique": 3533,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.129
},
{
"type": "R(meas)",
"value": 1.216
},
{
"type": "R(pim)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.735
}
]
},
{
"resolution_limits": [48.773,8.678],
"number_observations": 22597,
"number_observations_unique": 3663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}