Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6448a632a5c952cda8e7294a2a6ff3cc",
"space_group_name": "P 1",
"unit_cell": {
"a": 45.469,
"b": 49.425,
"c": 81.349,
"alpha": 91.71,
"beta": 99.18,
"gamma": 102.61
},
"wavelengths": [1.64940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.130,1.730],
"number_observations": 433861,
"number_observations_unique": 63824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 10239,
"number_observations_unique": 1857,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.658
},
{
"type": "R(meas)",
"value": 2.924
},
{
"type": "R(pim)",
"value": 1.183
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 47.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.168
}
]
},
{
"resolution_limits": [80.130,8.990],
"number_observations": 3809,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}