Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24d2e2eac46061c72ef5f6213ac3b490",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.828,
"b": 75.239,
"c": 152.231,
"alpha": 90.00,
"beta": 99.67,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.640,2.100],
"number_observations": 134803,
"number_observations_unique": 57858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 10143,
"number_observations_unique": 4489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.815
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.568
}
]
},
{
"resolution_limits": [48.640,9.150],
"number_observations": 1787,
"number_observations_unique": 705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}