Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e41721b1dc282673f8b811762f6020c8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.666,
"b": 71.994,
"c": 124.917,
"alpha": 90.00,
"beta": 95.91,
"gamma": 90.00
},
"wavelengths": [0.97895,0.91837,0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.035,2.23],
"number_observations_unique": 33428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 94.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.230],
"number_observations": 11881,
"number_observations_unique": 3371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [2.400,2.310],
"number_observations": 11588,
"number_observations_unique": 3326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [2.510,2.400],
"number_observations": 11479,
"number_observations_unique": 3334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [2.640,2.510],
"number_observations": 11062,
"number_observations_unique": 3198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 93.200
}
]
},
{
"resolution_limits": [2.810,2.640],
"number_observations": 12342,
"number_observations_unique": 3492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.020,2.810],
"number_observations": 11344,
"number_observations_unique": 3303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [3.330,3.020],
"number_observations": 11249,
"number_observations_unique": 3316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 92.400
}
]
},
{
"resolution_limits": [3.810,3.330],
"number_observations": 11553,
"number_observations_unique": 3363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 22.8
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [4.780,3.810],
"number_observations": 10945,
"number_observations_unique": 3235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 29.1
},
{
"type": "Completeness",
"value": 92.500
}
]
},
{
"resolution_limits": [47.035,4.780],
"number_observations": 11135,
"number_observations_unique": 3381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 31.0
},
{
"type": "Completeness",
"value": 92.000
}
]
}
]
}