Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27bfa690217fd9751b806a01f2f1f83d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.787,
"b": 84.944,
"c": 64.243,
"alpha": 90.00,
"beta": 103.24,
"gamma": 90.00
},
"wavelengths": [1.00900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.470,1.890],
"number_observations_unique": 62927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 3585,
"number_observations_unique": 1502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 65.800
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [42.470,9.060],
"number_observations": 1039,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}