Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49821b0306e1e49de1a7ac31dbbf2612",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.335,
"b": 53.297,
"c": 44.517,
"alpha": 90.00,
"beta": 103.12,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.150,1.960],
"number_observations": 64760,
"number_observations_unique": 18609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 4408,
"number_observations_unique": 1266,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.744
},
{
"type": "R(meas)",
"value": 2.046
},
{
"type": "R(pim)",
"value": 1.050
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [55.150,8.970],
"number_observations": 797,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}