Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce40aa0ee038c7ddfe4645c83c16faa0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.74,
"b": 87.05,
"c": 155.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.000,2.600],
"number_observations": 65007,
"number_observations_unique": 21949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.600],
"number_observations": 7721,
"number_observations_unique": 2625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.830
},
{
"type": "R(meas)",
"value": 1.012
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [76.000,9.000],
"number_observations": 1650,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}