Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5d2690dfaa85c8454e7adddf778f241",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.843,
"b": 44.818,
"c": 59.123,
"alpha": 92.04,
"beta": 96.20,
"gamma": 90.00
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.74,1.940],
"number_observations_unique": 32080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.940],
"number_observations": 16836,
"number_observations_unique": 4753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.844
},
{
"type": "R(meas)",
"value": 0.997
},
{
"type": "R(pim)",
"value": 0.527
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [44.790,6.120],
"number_observations": 3317,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}