Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9a73f4883bba53b4b4b1cbefa00f8d5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.650,
"b": 64.560,
"c": 74.363,
"alpha": 90.00,
"beta": 125.75,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.770,2.200],
"number_observations": 94374,
"number_observations_unique": 22897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 7833,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.679
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [34.770,9.050],
"number_observations": 1242,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}