Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a6034f06d65e51995ff71704f1a56c6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 92.022,
"b": 94.544,
"c": 242.218,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.050,2.210],
"number_observations": 692500,
"number_observations_unique": 106548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.210],
"number_observations": 50050,
"number_observations_unique": 7759,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.700
},
{
"type": "R(meas)",
"value": 1.849
},
{
"type": "R(pim)",
"value": 0.723
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [92.050,9.880],
"number_observations": 8082,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
}
]
}