Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ea1a2e8a612b531db8a6e27b2ae12f0",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 56.16,
"b": 61.52,
"c": 78.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.240,2.100],
"number_observations": 49058,
"number_observations_unique": 15140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 4064,
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [78.240,8.910],
"number_observations": 655,
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}