Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8514453038306cf3454f6ddcdcf7829",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.196,
"b": 111.430,
"c": 400.400,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [200.200,2.336],
"number_observations_unique": 149431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.340],
"number_observations": 300679,
"number_observations_unique": 21556,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.016
},
{
"type": "R(meas)",
"value": 3.130
},
{
"type": "R(pim)",
"value": 0.833
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.451
}
]
},
{
"resolution_limits": [200.200,7.390],
"number_observations": 64953,
"number_observations_unique": 5159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}