Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1417569b48b75a6e687f997fdfe3eaee",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.797,
"b": 113.842,
"c": 88.239,
"alpha": 90.00,
"beta": 105.31,
"gamma": 90.00
},
"wavelengths": [0.97780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 173068,
"number_observations_unique": 51828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 2516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 2536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 2542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 2515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 2543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 2530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 2529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 2556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 2565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 2565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 2584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 2692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 2747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 2696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 2711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 2644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}