Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41452a281afe9245dc19f3a41ae1367d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.985,
"b": 70.044,
"c": 57.789,
"alpha": 90.00,
"beta": 92.36,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.020,2.040],
"number_observations": 189622,
"number_observations_unique": 27458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.040],
"number_observations": 13506,
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.699
},
{
"type": "R(meas)",
"value": 1.840
},
{
"type": "R(pim)",
"value": 0.698
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.185
}
]
},
{
"resolution_limits": [70.020,8.900],
"number_observations": 2149,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}