Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c93c3a228b7e934236a903dc732d8d0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.495,
"b": 78.539,
"c": 36.010,
"alpha": 90.00,
"beta": 96.52,
"gamma": 90.00
},
"wavelengths": [1.18060],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.460,2.480],
"number_observations": 36429,
"number_observations_unique": 8802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.580,2.480],
"number_observations": 4099,
"number_observations_unique": 988,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.269
},
{
"type": "R(meas)",
"value": 1.457
},
{
"type": "R(pim)",
"value": 0.704
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.381
}
]
},
{
"resolution_limits": [44.460,8.940],
"number_observations": 747,
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}