Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed80065d1b72be3a4021937cc85a9a22",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.103,
"b": 69.564,
"c": 57.423,
"alpha": 90.00,
"beta": 93.02,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.390,1.740],
"number_observations": 303627,
"number_observations_unique": 43657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 15136,
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.219
},
{
"type": "R(meas)",
"value": 2.414
},
{
"type": "R(pim)",
"value": 0.941
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [57.390,9.050],
"number_observations": 2001,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 58.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}