Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "689325d0a9397f7bd45b9cfc48c460a3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.986,
"b": 124.547,
"c": 151.587,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49,1.700],
"number_observations_unique": 158136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 35652,
"number_observations_unique": 7637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [48.160,9.310],
"number_observations": 6270,
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}