Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24110dd083c1de81f34422fd0c6a2d57",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 58.980,
"b": 70.929,
"c": 98.571,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.350,2.390],
"number_observations": 60857,
"number_observations_unique": 16773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.390],
"number_observations": 6584,
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.396
},
{
"type": "R(meas)",
"value": 1.621
},
{
"type": "R(pim)",
"value": 0.811
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.399
}
]
},
{
"resolution_limits": [45.350,8.940],
"number_observations": 1132,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}