Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77a12e8c9d475e312a41f7992e62f8fc",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 88.957,
"b": 88.957,
"c": 34.989,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.480,2.100],
"number_observations": 102165,
"number_observations_unique": 9530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 8619,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.985
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [44.480,8.910],
"number_observations": 1046,
"number_observations_unique": 136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 45.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}