Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9b95e3e466d84f9f9dfee153bf60ea8f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.288,
"b": 102.650,
"c": 104.848,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.480,1.800],
"number_observations": 280823,
"number_observations_unique": 62249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 16710,
"number_observations_unique": 3695,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.017
},
{
"type": "R(meas)",
"value": 1.147
},
{
"type": "R(pim)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [47.480,9.000],
"number_observations": 2414,
"number_observations_unique": 556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}