Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7c9ed4fede66c7c1236082e40bb7caa",
"space_group_name": "P 1",
"unit_cell": {
"a": 26.105,
"b": 27.234,
"c": 50.039,
"alpha": 76.679,
"beta": 81.267,
"gamma": 72.662
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.50,1.18],
"number_observations_unique": 27938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.1
},
{
"type": "Completeness",
"value": 67.0
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [48.50,6.48],
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 56.8
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.20,1.18],
"number_observations_unique": 96,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 4.7
},
{
"type": "Redundancy",
"value": 1.3
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}