Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4cd97f0378f7e2d29a5293658f29e8c3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.083,
"b": 127.640,
"c": 45.102,
"alpha": 90.00,
"beta": 96.05,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.850,2.100],
"number_observations": 164090,
"number_observations_unique": 29532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 9774,
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [44.850,8.910],
"number_observations": 1528,
"number_observations_unique": 396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}