Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0af8324fb1abd25e43dae1632043949",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.25,
"b": 98.16,
"c": 102.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.250,1.860],
"number_observations": 376849,
"number_observations_unique": 57312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 27709,
"number_observations_unique": 4147,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.084
},
{
"type": "R(meas)",
"value": 3.341
},
{
"type": "R(pim)",
"value": 1.278
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
},
{
"resolution_limits": [67.250,8.320],
"number_observations": 4659,
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}