Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c31500c2b2d0fc823563283cfbd1539",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.74,
"b": 93.81,
"c": 93.34,
"alpha": 90.00,
"beta": 107.83,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.510,1.550],
"number_observations": 464723,
"number_observations_unique": 135768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 34896,
"number_observations_unique": 10028,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.186
},
{
"type": "R(meas)",
"value": 1.406
},
{
"type": "R(pim)",
"value": 0.745
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [64.510,6.930],
"number_observations": 5732,
"number_observations_unique": 1589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 81.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}