Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6617b7c8f1d049a1367a519ee26d1691",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.45,
"b": 31.69,
"c": 49.41,
"alpha": 90.00,
"beta": 116.34,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.280,2.000],
"number_observations": 29620,
"number_observations_unique": 8251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.560
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations": 2788,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.460
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations": 2957,
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.630
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations": 3023,
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.630
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations": 2948,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.640
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations": 3011,
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.650
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations": 3076,
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.640
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations": 2947,
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.630
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations": 3040,
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.580
}
]
},
{
"resolution_limits": [4.310,3.420],
"number_observations": 2986,
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.510
}
]
},
{
"resolution_limits": [44.280,4.310],
"number_observations": 2844,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.270
}
]
}
]
}