Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1bce6d398c1e623ae62709276bba1c2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.881,
"b": 72.885,
"c": 95.316,
"alpha": 90.0,
"beta": 107.4,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.060,2.700],
"number_observations": 71175,
"number_observations_unique": 24028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 9586,
"number_observations_unique": 3146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [47.060,8.950],
"number_observations": 1855,
"number_observations_unique": 700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}