Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c6fb90eceb605dc04405cb1461da603",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.141,
"b": 82.728,
"c": 228.468,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.730,2.240],
"number_observations": 337512,
"number_observations_unique": 45696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.240],
"number_observations": 51558,
"number_observations_unique": 6549,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.046
},
{
"type": "R(meas)",
"value": 1.120
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [82.730,7.090],
"number_observations": 10858,
"number_observations_unique": 1626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}