Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc5e4f9c193eb6197d5a0a2ffe031754",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 84.240,
"b": 84.240,
"c": 260.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.140,1.390],
"number_observations": 1377160,
"number_observations_unique": 188224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 65963,
"number_observations_unique": 9124,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.002
},
{
"type": "R(meas)",
"value": 1.078
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [49.140,7.610],
"number_observations": 9165,
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}