Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e168ca5edfb97a5d9674bafe2c75631",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.358,
"b": 61.746,
"c": 151.408,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.750,2.100],
"number_observations": 595927,
"number_observations_unique": 32251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 33743,
"number_observations_unique": 2583,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.078
},
{
"type": "R(meas)",
"value": 2.164
},
{
"type": "R(pim)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.496
}
]
},
{
"resolution_limits": [61.750,8.910],
"number_observations": 8462,
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}