Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19b41dc8cd8890d0ea5c761b3676b254",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.439,
"b": 67.230,
"c": 91.160,
"alpha": 90.00,
"beta": 94.81,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.840,1.860],
"number_observations": 320468,
"number_observations_unique": 53401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 21062,
"number_observations_unique": 3528,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.091
},
{
"type": "R(meas)",
"value": 1.197
},
{
"type": "R(pim)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [90.840,8.940],
"number_observations": 3245,
"number_observations_unique": 526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}