Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4117cdd93c55cf1119a96f4280026835",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.47,
"b": 49.94,
"c": 105.32,
"alpha": 90.00,
"beta": 105.11,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.392,2.150],
"number_observations_unique": 44346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 9660,
"number_observations_unique": 3122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(meas)",
"value": 0.982
},
{
"type": "R(pim)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [40.390,9.620],
"number_observations": 1568,
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}