Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47a7f5c154266dd607638004d3f45666",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.941,
"b": 46.070,
"c": 61.441,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.660,1.160],
"number_observations_unique": 32252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.160],
"number_observations": 507,
"number_observations_unique": 286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 9.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [34.640,5.070],
"number_observations": 2398,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 68.200
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}