Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9821102048fb76431108afaaecea55d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.424,
"b": 76.374,
"c": 95.663,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.6,2.390],
"number_observations": 79003,
"number_observations_unique": 14898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 7.020
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.390],
"number_observations": 10314,
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "R(meas)",
"value": 1.335
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 91.800
}
]
},
{
"resolution_limits": [2.710,2.540],
"number_observations": 12549,
"number_observations_unique": 2247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "R(meas)",
"value": 0.840
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.930,2.710],
"number_observations": 11624,
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 3.430
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.210,2.930],
"number_observations": 10762,
"number_observations_unique": 1943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 5.520
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.580,3.210],
"number_observations": 9516,
"number_observations_unique": 1780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 8.670
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.130,3.580],
"number_observations": 8329,
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 11.810
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [5.050,4.130],
"number_observations": 6805,
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 13.660
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [7.100,5.050],
"number_observations": 5876,
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 14.260
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [44.6,7.100],
"number_observations": 3228,
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 16.440
},
{
"type": "Completeness",
"value": 97.500
}
]
}
]
}