Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bcc8ec69b6a1a92baf042e6720c55b51",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.28,
"b": 104.99,
"c": 75.95,
"alpha": 90.00,
"beta": 95.95,
"gamma": 90.00
},
"wavelengths": [0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.540,2.000],
"number_observations": 180663,
"number_observations_unique": 54007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 11297,
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "R(meas)",
"value": 0.700
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.619
}
]
},
{
"resolution_limits": [75.540,8.940],
"number_observations": 1913,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}