Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "381a40661bebf936f9ea8530547d26f3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.681,
"b": 27.489,
"c": 56.454,
"alpha": 90.00,
"beta": 99.83,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.610,1.150],
"number_observations": 171968,
"number_observations_unique": 34087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 76.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 143,
"number_observations_unique": 143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 6.400
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [55.610,6.200],
"number_observations": 1887,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
}
]
}