Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f457b5d266727cfe56fce6ec29521823",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.195,
"b": 57.406,
"c": 115.201,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.200,1.310],
"number_observations": 490456,
"number_observations_unique": 82743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.310],
"number_observations": 24671,
"number_observations_unique": 5779,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.250
},
{
"type": "R(meas)",
"value": 1.422
},
{
"type": "R(pim)",
"value": 0.659
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.505
}
]
},
{
"resolution_limits": [115.200,5.860],
"number_observations": 6391,
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}