Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c798e5d31a5658594d248ab4d00b976",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.102,
"b": 64.749,
"c": 96.107,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.750,2.050],
"number_observations": 107062,
"number_observations_unique": 16528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 5208,
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "R(pim)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.568
}
]
},
{
"resolution_limits": [64.750,8.940],
"number_observations": 1354,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}