Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2cb036b46d7b0f0f63a4e9c5481cd064",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.57,
"b": 57.43,
"c": 67.16,
"alpha": 90.797,
"beta": 108.443,
"gamma": 102.371
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.86,2.00],
"number_observations_unique": 39513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [19.86,8.94],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 90.8
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 2915,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.185
},
{
"type": "R(meas)",
"value": 2.526
},
{
"type": "R(pim)",
"value": 1.252
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.339
}
]
}
]
}