Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bb0e776d97ec155a187a00178f7bb3a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.857,
"b": 47.286,
"c": 72.557,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.61992],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.290,0.950],
"number_observations": 548989,
"number_observations_unique": 84114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations": 24814,
"number_observations_unique": 4170,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.237
},
{
"type": "R(meas)",
"value": 3.544
},
{
"type": "R(pim)",
"value": 1.421
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.169
}
]
},
{
"resolution_limits": [47.290,5.130],
"number_observations": 3286,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 48.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}